AC45242
79349-82-9 | 7-Amino-3-vinyl-3-cephem-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC45242
ChemicalName
7-Amino-3-vinyl-3-cephem-4-carboxylic acid
CasNumber
79349-82-9
MolecularFormula
C9H10N2O3S
MolecularWeight
226.2523
MdlNumber
MFCD07782149
Smiles
C=CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N
Complexity
391
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-2.8
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CatalogNumber: AC45242
ChemicalName: 7-Amino-3-vinyl-3-cephem-4-carboxylic acid
CasNumber: 79349-82-9
MolecularFormula: C9H10N2O3S
MolecularWeight: 226.2523
MdlNumber: MFCD07782149
Smiles: C=CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N
Complexity: 391
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -2.8
CatalogNumber:
AC45242
ChemicalName:
7-Amino-3-vinyl-3-cephem-4-carboxylic acid
CasNumber:
79349-82-9
MolecularFormula:
C9H10N2O3S
MolecularWeight:
226.2523
MdlNumber:
MFCD07782149
Smiles:
C=CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N
Complexity:
391
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-2.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Cc1noc(n1)c1ccccc1O
Complexity: __
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Smiles:
Cc1noc(n1)c1ccccc1O
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Smiles: Brc1nnnn1Cc1ccccc1
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Smiles:
Brc1nnnn1Cc1ccccc1
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Oc1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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__
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CasNumber:
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MolecularFormula:
__
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Smiles:
Oc1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__