AG19040
4467-07-6 | 3-(Pyridin-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG19040
ChemicalName
3-(Pyridin-2-yl)benzoic acid
CasNumber
4467-07-6
MolecularFormula
C12H9NO2
MolecularWeight
199.20535999999998
MdlNumber
MFCD05864807
Smiles
OC(=O)c1cccc(c1)c1ccccn1
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AG19040
ChemicalName: 3-(Pyridin-2-yl)benzoic acid
CasNumber: 4467-07-6
MolecularFormula: C12H9NO2
MolecularWeight: 199.20535999999998
MdlNumber: MFCD05864807
Smiles: OC(=O)c1cccc(c1)c1ccccn1
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG19040
ChemicalName:
3-(Pyridin-2-yl)benzoic acid
CasNumber:
4467-07-6
MolecularFormula:
C12H9NO2
MolecularWeight:
199.20535999999998
MdlNumber:
MFCD05864807
Smiles:
OC(=O)c1cccc(c1)c1ccccn1
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AG19041
ChemicalName: 4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one
CasNumber: 54757-47-0
MolecularFormula: C14H18O2
MolecularWeight: 218.2915
MdlNumber: MFCD00449197
Smiles: COc1cc(C)c(c(c1C)C)C=CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG19041
ChemicalName:
4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one
CasNumber:
54757-47-0
MolecularFormula:
C14H18O2
MolecularWeight:
218.2915
MdlNumber:
MFCD00449197
Smiles:
COc1cc(C)c(c(c1C)C)C=CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1sc(c(n1)c1ccc(cc1)C(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1sc(c(n1)c1ccc(cc1)C(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(cc1N)N1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1N)N1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__