AG64304
56657-76-2 | Cyanoacetic acid-OSu
Manufacturer: A2B Chem
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CatalogNumber
AG64304
ChemicalName
Cyanoacetic acid-OSu
CasNumber
56657-76-2
MolecularFormula
C7H6N2O4
MolecularWeight
182.1335
MdlNumber
MFCD00798802
Smiles
N#CCC(=O)ON1C(=O)CCC1=O
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
-0.9
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CatalogNumber: AG64304
ChemicalName: Cyanoacetic acid-OSu
CasNumber: 56657-76-2
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD00798802
Smiles: N#CCC(=O)ON1C(=O)CCC1=O
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: -0.9
CatalogNumber:
AG64304
ChemicalName:
Cyanoacetic acid-OSu
CasNumber:
56657-76-2
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD00798802
Smiles:
N#CCC(=O)ON1C(=O)CCC1=O
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(F)c(F)c(c(c1F)F)C(=O)O
Complexity: 264
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1c(F)c(F)c(c(c1F)F)C(=O)O
Complexity:
264
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOC(=O)[C@H]([C@@H](C(=O)OCCCC)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCOC(=O)[C@H]([C@@H](C(=O)OCCCC)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__