AA63732
1457-58-5 | 2-Methyl-1h-imidazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA63732
ChemicalName
2-Methyl-1h-imidazole-4-carboxylic acid
CasNumber
1457-58-5
MolecularFormula
C5H6N2O2
MolecularWeight
126.1133
MdlNumber
MFCD00234110
Smiles
Cc1ncc([nH]1)C(=O)O
NscNumber
109147
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AA63732
ChemicalName: 2-Methyl-1h-imidazole-4-carboxylic acid
CasNumber: 1457-58-5
MolecularFormula: C5H6N2O2
MolecularWeight: 126.1133
MdlNumber: MFCD00234110
Smiles: Cc1ncc([nH]1)C(=O)O
NscNumber: 109147
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AA63732
ChemicalName:
2-Methyl-1h-imidazole-4-carboxylic acid
CasNumber:
1457-58-5
MolecularFormula:
C5H6N2O2
MolecularWeight:
126.1133
MdlNumber:
MFCD00234110
Smiles:
Cc1ncc([nH]1)C(=O)O
NscNumber:
109147
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3
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Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1cccn1
NscNumber: __
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O=C(c1cccc(c1)[N+](=O)[O-])Cn1cccn1
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Smiles: C=CCN1C(=S)SCC1=O
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Smiles:
C=CCN1C(=S)SCC1=O
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CSC(=S)N1c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CSC(=S)N1c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__