AA28412
124480-95-1 | 3,5-Diethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA28412
ChemicalName
3,5-Diethoxybenzoic acid
CasNumber
124480-95-1
MolecularFormula
C11H14O4
MolecularWeight
210.22646
MdlNumber
MFCD02063084
Smiles
CCOc1cc(OCC)cc(c1)C(=O)O
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AA28412
ChemicalName: 3,5-Diethoxybenzoic acid
CasNumber: 124480-95-1
MolecularFormula: C11H14O4
MolecularWeight: 210.22646
MdlNumber: MFCD02063084
Smiles: CCOc1cc(OCC)cc(c1)C(=O)O
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AA28412
ChemicalName:
3,5-Diethoxybenzoic acid
CasNumber:
124480-95-1
MolecularFormula:
C11H14O4
MolecularWeight:
210.22646
MdlNumber:
MFCD02063084
Smiles:
CCOc1cc(OCC)cc(c1)C(=O)O
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C/C=C/[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C/C=C/[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: ClCC(=O)Nc1sc(c(c1C#N)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClCC(=O)Nc1sc(c(c1C#N)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__