AB67302
73831-13-7 | 4-Cyano-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67302
ChemicalName
4-Cyano-3-methylbenzoic acid
CasNumber
73831-13-7
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD14582961
Smiles
N#Cc1ccc(cc1C)C(=O)O
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AB67302
ChemicalName: 4-Cyano-3-methylbenzoic acid
CasNumber: 73831-13-7
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD14582961
Smiles: N#Cc1ccc(cc1C)C(=O)O
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB67302
ChemicalName:
4-Cyano-3-methylbenzoic acid
CasNumber:
73831-13-7
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD14582961
Smiles:
N#Cc1ccc(cc1C)C(=O)O
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB67303
ChemicalName: 4-Cyano-4-(4-fluorophenyl)cyclohexanone
CasNumber: 56326-98-8
MolecularFormula: C13H12FNO
MolecularWeight: 217.2389
MdlNumber: MFCD00044815
Smiles: N#CC1(CCC(=O)CC1)c1ccc(cc1)F
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB67303
ChemicalName:
4-Cyano-4-(4-fluorophenyl)cyclohexanone
CasNumber:
56326-98-8
MolecularFormula:
C13H12FNO
MolecularWeight:
217.2389
MdlNumber:
MFCD00044815
Smiles:
N#CC1(CCC(=O)CC1)c1ccc(cc1)F
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AB67304
ChemicalName: 4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
CasNumber: 870196-80-8
MolecularFormula: C19H33NO2S3
MolecularWeight: 403.66582000000005
MdlNumber: MFCD11040288
Smiles: CCCCCCCCCCCCSC(=S)SC(CCC(=O)O)(C#N)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 17
Xlogp3: 7.6
CatalogNumber:
AB67304
ChemicalName:
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
CasNumber:
870196-80-8
MolecularFormula:
C19H33NO2S3
MolecularWeight:
403.66582000000005
MdlNumber:
MFCD11040288
Smiles:
CCCCCCCCCCCCSC(=S)SC(CCC(=O)O)(C#N)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
17
Xlogp3:
7.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ccc(cc1)c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1ccc(cc1)c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__