AH49870
75092-39-6 | 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH49870
ChemicalName
1-Methyl-1H-pyrazole-3,5-dicarboxylic acid
CasNumber
75092-39-6
MolecularFormula
C6H6N2O4
MolecularWeight
170.1228
MdlNumber
MFCD02090834
Smiles
OC(=O)c1nn(c(c1)C(=O)O)C
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AH49870
ChemicalName: 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid
CasNumber: 75092-39-6
MolecularFormula: C6H6N2O4
MolecularWeight: 170.1228
MdlNumber: MFCD02090834
Smiles: OC(=O)c1nn(c(c1)C(=O)O)C
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AH49870
ChemicalName:
1-Methyl-1H-pyrazole-3,5-dicarboxylic acid
CasNumber:
75092-39-6
MolecularFormula:
C6H6N2O4
MolecularWeight:
170.1228
MdlNumber:
MFCD02090834
Smiles:
OC(=O)c1nn(c(c1)C(=O)O)C
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: NNC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
NNC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity:
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__
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Smiles: OC(=O)COc1ccc(cc1)n1cnnn1
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Smiles:
OC(=O)COc1ccc(cc1)n1cnnn1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: FC(C(=O)CC(=O)C1CC1)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(=O)CC(=O)C1CC1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__