AG24522
4385-78-8 | 3-(Pyridin-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG24522
ChemicalName
3-(Pyridin-4-yl)benzoic acid
CasNumber
4385-78-8
MolecularFormula
C12H9NO2
MolecularWeight
199.20535999999996
MdlNumber
MFCD05864808
Smiles
OC(=O)c1cccc(c1)c1ccncc1
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AG24522
ChemicalName: 3-(Pyridin-4-yl)benzoic acid
CasNumber: 4385-78-8
MolecularFormula: C12H9NO2
MolecularWeight: 199.20535999999996
MdlNumber: MFCD05864808
Smiles: OC(=O)c1cccc(c1)c1ccncc1
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AG24522
ChemicalName:
3-(Pyridin-4-yl)benzoic acid
CasNumber:
4385-78-8
MolecularFormula:
C12H9NO2
MolecularWeight:
199.20535999999996
MdlNumber:
MFCD05864808
Smiles:
OC(=O)c1cccc(c1)c1ccncc1
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: CCOC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OC(=O)c1cc(=O)c2c(o1)cccc2O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1cc(=O)c2c(o1)cccc2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)c1c(F)ccc2c1OCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(F)ccc2c1OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__