AB52645
13529-27-6 | 2-(Diethoxymethyl)furan
Manufacturer: A2B Chem
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CatalogNumber
AB52645
ChemicalName
2-(Diethoxymethyl)furan
CasNumber
13529-27-6
MolecularFormula
C9H14O3
MolecularWeight
170.2057
MdlNumber
MFCD00003245
Smiles
CCOC(c1ccco1)OCC
Complexity
110
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AB52645
ChemicalName: 2-(Diethoxymethyl)furan
CasNumber: 13529-27-6
MolecularFormula: C9H14O3
MolecularWeight: 170.2057
MdlNumber: MFCD00003245
Smiles: CCOC(c1ccco1)OCC
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AB52645
ChemicalName:
2-(Diethoxymethyl)furan
CasNumber:
13529-27-6
MolecularFormula:
C9H14O3
MolecularWeight:
170.2057
MdlNumber:
MFCD00003245
Smiles:
CCOC(c1ccco1)OCC
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[C@H]1OCCN2[C@@H]1O[C@H]1[C@@H]2C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CO[C@H]1OCCN2[C@@H]1O[C@H]1[C@@H]2C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)CCCCN)Cc1[nH]cnc1)CO)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N)CCC(=O)N)CCCNC(=N)N)CO)CCCNC(=N)N)CC(=O)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)CCCCN)Cc1[nH]cnc1)CO)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N)CCC(=O)N)CCCNC(=N)N)CO)CCCNC(=N)N)CC(=O)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1ccc2c(c1)cc(cn2)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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__
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MolecularFormula:
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Smiles:
Oc1ccc2c(c1)cc(cn2)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__