AA38201
1297537-45-1 | 3-Acetyl-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA38201
ChemicalName
3-Acetyl-1h-pyrazole-5-carboxylic acid
CasNumber
1297537-45-1
MolecularFormula
C6H6N2O3
MolecularWeight
154.1234
MdlNumber
MFCD09028402
Smiles
OC(=O)c1n[nH]c(c1)C(=O)C
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AA38201
ChemicalName: 3-Acetyl-1h-pyrazole-5-carboxylic acid
CasNumber: 1297537-45-1
MolecularFormula: C6H6N2O3
MolecularWeight: 154.1234
MdlNumber: MFCD09028402
Smiles: OC(=O)c1n[nH]c(c1)C(=O)C
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AA38201
ChemicalName:
3-Acetyl-1h-pyrazole-5-carboxylic acid
CasNumber:
1297537-45-1
MolecularFormula:
C6H6N2O3
MolecularWeight:
154.1234
MdlNumber:
MFCD09028402
Smiles:
OC(=O)c1n[nH]c(c1)C(=O)C
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
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Smiles: Cc1nc2c(s1)c(I)c(cc2)N
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
Cc1nc2c(s1)c(I)c(cc2)N
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cl[Mg]Cc1ccc(cc1Cl)Cl
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Smiles:
Cl[Mg]Cc1ccc(cc1Cl)Cl
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:
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Smiles: Cc1cc(cc(c1O)C(=O)O)C(c1cc(C)c(c(c1)C(=O)O)O)c1cc(C)c(c(c1)C(=O)O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
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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:
Cc1cc(cc(c1O)C(=O)O)C(c1cc(C)c(c(c1)C(=O)O)O)c1cc(C)c(c(c1)C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__