AB59319
1186663-27-3 | 2-(Methylsulfonyl)-4-pyridinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB59319
ChemicalName
2-(Methylsulfonyl)-4-pyridinecarboxylic acid
CasNumber
1186663-27-3
MolecularFormula
C7H7NO4S
MolecularWeight
201.1998
MdlNumber
MFCD12828707
Smiles
OC(=O)c1ccnc(c1)S(=O)(=O)C
Complexity
292
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AB59319
ChemicalName: 2-(Methylsulfonyl)-4-pyridinecarboxylic acid
CasNumber: 1186663-27-3
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD12828707
Smiles: OC(=O)c1ccnc(c1)S(=O)(=O)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB59319
ChemicalName:
2-(Methylsulfonyl)-4-pyridinecarboxylic acid
CasNumber:
1186663-27-3
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD12828707
Smiles:
OC(=O)c1ccnc(c1)S(=O)(=O)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB59321
ChemicalName: 2-(Methylsulfonyl)acetonitrile
CasNumber: 2274-42-2
MolecularFormula: C3H5NO2S
MolecularWeight: 119.1423
MdlNumber: MFCD00014743
Smiles: N#CCS(=O)(=O)C
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: -1.4
CatalogNumber:
AB59321
ChemicalName:
2-(Methylsulfonyl)acetonitrile
CasNumber:
2274-42-2
MolecularFormula:
C3H5NO2S
MolecularWeight:
119.1423
MdlNumber:
MFCD00014743
Smiles:
N#CCS(=O)(=O)C
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccccc1S(=O)(=O)C
Complexity: 250
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccccc1S(=O)(=O)C
Complexity:
250
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6