AB63191
4385-77-7 | 3-(Pyridin-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63191
ChemicalName
3-(Pyridin-3-yl)benzoic acid
CasNumber
4385-77-7
MolecularFormula
C12H9NO2
MolecularWeight
199.2054
MdlNumber
MFCD03426512
Smiles
OC(=O)c1cccc(c1)c1cccnc1
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB63191
ChemicalName: 3-(Pyridin-3-yl)benzoic acid
CasNumber: 4385-77-7
MolecularFormula: C12H9NO2
MolecularWeight: 199.2054
MdlNumber: MFCD03426512
Smiles: OC(=O)c1cccc(c1)c1cccnc1
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB63191
ChemicalName:
3-(Pyridin-3-yl)benzoic acid
CasNumber:
4385-77-7
MolecularFormula:
C12H9NO2
MolecularWeight:
199.2054
MdlNumber:
MFCD03426512
Smiles:
OC(=O)c1cccc(c1)c1cccnc1
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB63192
ChemicalName: 3-(3-Pyridyl)propionic acid
CasNumber: 3724-19-4
MolecularFormula: C8H9NO2
MolecularWeight: 151.16256
MdlNumber: MFCD00008795
Smiles: OC(=O)CCc1cccnc1
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AB63192
ChemicalName:
3-(3-Pyridyl)propionic acid
CasNumber:
3724-19-4
MolecularFormula:
C8H9NO2
MolecularWeight:
151.16256
MdlNumber:
MFCD00008795
Smiles:
OC(=O)CCc1cccnc1
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCc1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCc1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63194
ChemicalName: 3-(Thiophen-3-yl)propan-1-ol
CasNumber: 20905-98-0
MolecularFormula: C7H10OS
MolecularWeight: 142.2187
MdlNumber: MFCD09927266
Smiles: OCCCc1cscc1
Complexity: 75.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB63194
ChemicalName:
3-(Thiophen-3-yl)propan-1-ol
CasNumber:
20905-98-0
MolecularFormula:
C7H10OS
MolecularWeight:
142.2187
MdlNumber:
MFCD09927266
Smiles:
OCCCc1cscc1
Complexity:
75.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2