AG29565
4747-46-0 | 1-Phenyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG29565
ChemicalName
1-Phenyl-1h-pyrazole-3-carboxylic acid
CasNumber
4747-46-0
MolecularFormula
C10H8N2O2
MolecularWeight
188.18272
MdlNumber
MFCD09991934
Smiles
OC(=O)c1ccn(n1)c1ccccc1
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AG29565
ChemicalName: 1-Phenyl-1h-pyrazole-3-carboxylic acid
CasNumber: 4747-46-0
MolecularFormula: C10H8N2O2
MolecularWeight: 188.18272
MdlNumber: MFCD09991934
Smiles: OC(=O)c1ccn(n1)c1ccccc1
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AG29565
ChemicalName:
1-Phenyl-1h-pyrazole-3-carboxylic acid
CasNumber:
4747-46-0
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.18272
MdlNumber:
MFCD09991934
Smiles:
OC(=O)c1ccn(n1)c1ccccc1
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)C1=CCCCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)C1=CCCCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1c[nH]c2c1cccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1c[nH]c2c1cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG29568
ChemicalName: 2-(2-Cyano-4-methoxyphenyl)acetic acid
CasNumber: 52786-67-1
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD18394271
Smiles: N#Cc1cc(OC)ccc1CC(=O)O
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AG29568
ChemicalName:
2-(2-Cyano-4-methoxyphenyl)acetic acid
CasNumber:
52786-67-1
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD18394271
Smiles:
N#Cc1cc(OC)ccc1CC(=O)O
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1