AA01598
1002535-21-8 | 3-(1H-Pyrazol-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA01598
ChemicalName
3-(1H-Pyrazol-4-yl)benzoic acid
CasNumber
1002535-21-8
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD06739075
Smiles
OC(=O)c1cccc(c1)c1c[nH]nc1
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AA01598
ChemicalName: 3-(1H-Pyrazol-4-yl)benzoic acid
CasNumber: 1002535-21-8
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD06739075
Smiles: OC(=O)c1cccc(c1)c1c[nH]nc1
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA01598
ChemicalName:
3-(1H-Pyrazol-4-yl)benzoic acid
CasNumber:
1002535-21-8
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD06739075
Smiles:
OC(=O)c1cccc(c1)c1c[nH]nc1
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCCOc1c(OCC)cccc1C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCOc1c(OCC)cccc1C=O
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: CCOC(=O)COc1ccccc1CC
Complexity: __
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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:
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MdlNumber:
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Smiles:
CCOC(=O)COc1ccccc1CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCC#CC#CCCC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCC#CC#CCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__