AA32049
1258637-09-0 | 3-(3-Cyanophenyl)-5-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA32049
ChemicalName
3-(3-Cyanophenyl)-5-hydroxybenzoic acid
CasNumber
1258637-09-0
MolecularFormula
C14H9NO3
MolecularWeight
239.22615999999996
MdlNumber
MFCD18086682
Smiles
N#Cc1cccc(c1)c1cc(O)cc(c1)C(=O)O
Complexity
359
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AA32049
ChemicalName: 3-(3-Cyanophenyl)-5-hydroxybenzoic acid
CasNumber: 1258637-09-0
MolecularFormula: C14H9NO3
MolecularWeight: 239.22615999999996
MdlNumber: MFCD18086682
Smiles: N#Cc1cccc(c1)c1cc(O)cc(c1)C(=O)O
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA32049
ChemicalName:
3-(3-Cyanophenyl)-5-hydroxybenzoic acid
CasNumber:
1258637-09-0
MolecularFormula:
C14H9NO3
MolecularWeight:
239.22615999999996
MdlNumber:
MFCD18086682
Smiles:
N#Cc1cccc(c1)c1cc(O)cc(c1)C(=O)O
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: COc1ncc(cn1)c1cnccc1N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ncc(cn1)c1cnccc1N
Complexity:
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RotatableBondCount:
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Smiles: Nc1ccncc1c1ccccc1OC(F)(F)F
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Smiles:
Nc1ccncc1c1ccccc1OC(F)(F)F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Nc1ccc(cn1)c1ccc(cc1Cl)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
Nc1ccc(cn1)c1ccc(cc1Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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