AB44169
4021-11-8 | 2-Methylisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44169
ChemicalName
2-Methylisonicotinic acid
CasNumber
4021-11-8
MolecularFormula
C7H7NO2
MolecularWeight
137.13598
MdlNumber
MFCD00513435
Smiles
Cc1nccc(c1)C(=O)O
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AB44169
ChemicalName: 2-Methylisonicotinic acid
CasNumber: 4021-11-8
MolecularFormula: C7H7NO2
MolecularWeight: 137.13598
MdlNumber: MFCD00513435
Smiles: Cc1nccc(c1)C(=O)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB44169
ChemicalName:
2-Methylisonicotinic acid
CasNumber:
4021-11-8
MolecularFormula:
C7H7NO2
MolecularWeight:
137.13598
MdlNumber:
MFCD00513435
Smiles:
Cc1nccc(c1)C(=O)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB44170
ChemicalName: 2-(Methylthio)benzothiazole
CasNumber: 615-22-5
MolecularFormula: C8H7NS2
MolecularWeight: 181.2779
MdlNumber: MFCD00005784
Smiles: CSc1nc2c(s1)cccc2
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB44170
ChemicalName:
2-(Methylthio)benzothiazole
CasNumber:
615-22-5
MolecularFormula:
C8H7NS2
MolecularWeight:
181.2779
MdlNumber:
MFCD00005784
Smiles:
CSc1nc2c(s1)cccc2
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)cccc2
Complexity: 128
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)cccc2
Complexity:
128
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CNCCN1
Complexity: 54
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CNCCN1
Complexity:
54
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4