AD84831
89202-89-1 | 1,4-Dimethyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD84831
ChemicalName
1,4-Dimethyl-1h-pyrazole-3-carboxylic acid
CasNumber
89202-89-1
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD19228348
Smiles
Cn1cc(c(n1)C(=O)O)C
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AD84831
ChemicalName: 1,4-Dimethyl-1h-pyrazole-3-carboxylic acid
CasNumber: 89202-89-1
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD19228348
Smiles: Cn1cc(c(n1)C(=O)O)C
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AD84831
ChemicalName:
1,4-Dimethyl-1h-pyrazole-3-carboxylic acid
CasNumber:
89202-89-1
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD19228348
Smiles:
Cn1cc(c(n1)C(=O)O)C
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
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MolecularFormula: __
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Smiles: Cn1ccc(n1)C(=O)Nc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cn1ccc(n1)C(=O)Nc1ccccc1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(ccc1OC)CC1(C)NC(=O)NC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(ccc1OC)CC1(C)NC(=O)NC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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