AB07170
1975-53-7 | 4-Cyano-2-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB07170
ChemicalName
4-Cyano-2-methylbenzoic acid
CasNumber
1975-53-7
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD14582960
Smiles
N#Cc1ccc(c(c1)C)C(=O)O
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AB07170
ChemicalName: 4-Cyano-2-methylbenzoic acid
CasNumber: 1975-53-7
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD14582960
Smiles: N#Cc1ccc(c(c1)C)C(=O)O
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB07170
ChemicalName:
4-Cyano-2-methylbenzoic acid
CasNumber:
1975-53-7
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD14582960
Smiles:
N#Cc1ccc(c(c1)C)C(=O)O
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB07171
ChemicalName: 2-Methyl-5-nitrobenzoic acid
CasNumber: 1975-52-6
MolecularFormula: C8H7NO4
MolecularWeight: 181.14547999999996
MdlNumber: MFCD00007371
Smiles: [O-][N+](=O)c1ccc(c(c1)C(=O)O)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB07171
ChemicalName:
2-Methyl-5-nitrobenzoic acid
CasNumber:
1975-52-6
MolecularFormula:
C8H7NO4
MolecularWeight:
181.14547999999996
MdlNumber:
MFCD00007371
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AB07172
ChemicalName: 2-Methyl-4-nitrobenzoic acid
CasNumber: 1975-51-5
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00210697
Smiles: OC(=O)c1ccc(cc1C)[N+](=O)[O-]
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB07172
ChemicalName:
2-Methyl-4-nitrobenzoic acid
CasNumber:
1975-51-5
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00210697
Smiles:
OC(=O)c1ccc(cc1C)[N+](=O)[O-]
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1C)[N+](=O)[O-]
Complexity: 223
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1C)[N+](=O)[O-]
Complexity:
223
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6