AI55127
6973-60-0 | 1-Methylpyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI55127
ChemicalName
1-Methylpyrrole-2-carboxylic acid
CasNumber
6973-60-0
MolecularFormula
C6H7NO2
MolecularWeight
125.12528
MdlNumber
MFCD00003088
Smiles
OC(=O)c1cccn1C
NscNumber
40289
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AI55127
ChemicalName: 1-Methylpyrrole-2-carboxylic acid
CasNumber: 6973-60-0
MolecularFormula: C6H7NO2
MolecularWeight: 125.12528
MdlNumber: MFCD00003088
Smiles: OC(=O)c1cccn1C
NscNumber: 40289
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AI55127
ChemicalName:
1-Methylpyrrole-2-carboxylic acid
CasNumber:
6973-60-0
MolecularFormula:
C6H7NO2
MolecularWeight:
125.12528
MdlNumber:
MFCD00003088
Smiles:
OC(=O)c1cccn1C
NscNumber:
40289
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
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Smiles: CN(Cc1ccc(c(c1)[N+](=O)[O-])C)C
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Complexity: __
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Smiles:
CN(Cc1ccc(c(c1)[N+](=O)[O-])C)C
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Smiles: CC(=C)N1C(=O)N(C(=O)N(C1=O)CC2CO2)CC3CO3
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Smiles:
CC(=C)N1C(=O)N(C(=O)N(C1=O)CC2CO2)CC3CO3
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Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: ClCC(=O)Nc1ccc(cc1Cl)Cl
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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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:
ClCC(=O)Nc1ccc(cc1Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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