AB47498
4021-08-3 | 4-Methylpyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47498
ChemicalName
4-Methylpyridine-2-carboxylic acid
CasNumber
4021-08-3
MolecularFormula
C7H7NO2
MolecularWeight
137.13598
MdlNumber
MFCD03731175
Smiles
Cc1cc(ncc1)C(=O)O
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB47498
ChemicalName: 4-Methylpyridine-2-carboxylic acid
CasNumber: 4021-08-3
MolecularFormula: C7H7NO2
MolecularWeight: 137.13598
MdlNumber: MFCD03731175
Smiles: Cc1cc(ncc1)C(=O)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB47498
ChemicalName:
4-Methylpyridine-2-carboxylic acid
CasNumber:
4021-08-3
MolecularFormula:
C7H7NO2
MolecularWeight:
137.13598
MdlNumber:
MFCD03731175
Smiles:
Cc1cc(ncc1)C(=O)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)[nH]nc2
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)[nH]nc2
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1n[nH]cn1
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1n[nH]cn1
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AB47501
ChemicalName: 4-Trifluoromethylthiobenzaldehyde
CasNumber: 4021-50-5
MolecularFormula: C8H5F3OS
MolecularWeight: 206.1849
MdlNumber: MFCD00129191
Smiles: O=Cc1ccc(cc1)SC(F)(F)F
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB47501
ChemicalName:
4-Trifluoromethylthiobenzaldehyde
CasNumber:
4021-50-5
MolecularFormula:
C8H5F3OS
MolecularWeight:
206.1849
MdlNumber:
MFCD00129191
Smiles:
O=Cc1ccc(cc1)SC(F)(F)F
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.1