AB44015
3839-22-3 | 2-Cyanobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44015
ChemicalName
2-Cyanobenzoic acid
CasNumber
3839-22-3
MolecularFormula
C8H5NO2
MolecularWeight
147.1308
MdlNumber
MFCD00045796
Smiles
N#Cc1ccccc1C(=O)O
NscNumber
193443
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB44015
ChemicalName: 2-Cyanobenzoic acid
CasNumber: 3839-22-3
MolecularFormula: C8H5NO2
MolecularWeight: 147.1308
MdlNumber: MFCD00045796
Smiles: N#Cc1ccccc1C(=O)O
NscNumber: 193443
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB44015
ChemicalName:
2-Cyanobenzoic acid
CasNumber:
3839-22-3
MolecularFormula:
C8H5NO2
MolecularWeight:
147.1308
MdlNumber:
MFCD00045796
Smiles:
N#Cc1ccccc1C(=O)O
NscNumber:
193443
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AB44016
ChemicalName: 2-Cyanosuccinic acid dimethyl ester
CasNumber: 6283-71-2
MolecularFormula: C7H9NO4
MolecularWeight: 171.1507
MdlNumber: MFCD01760090
Smiles: COC(=O)CC(C(=O)OC)C#N
NscNumber: 7708
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: -0.1
CatalogNumber:
AB44016
ChemicalName:
2-Cyanosuccinic acid dimethyl ester
CasNumber:
6283-71-2
MolecularFormula:
C7H9NO4
MolecularWeight:
171.1507
MdlNumber:
MFCD01760090
Smiles:
COC(=O)CC(C(=O)OC)C#N
NscNumber:
7708
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNCCC#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNCCC#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44019
ChemicalName: 2-Cyanopyridine-4-boronic acid pinacol ester
CasNumber: 741709-62-6
MolecularFormula: C12H15BN2O2
MolecularWeight: 230.0707
MdlNumber: MFCD09607734
Smiles: N#Cc1nccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44019
ChemicalName:
2-Cyanopyridine-4-boronic acid pinacol ester
CasNumber:
741709-62-6
MolecularFormula:
C12H15BN2O2
MolecularWeight:
230.0707
MdlNumber:
MFCD09607734
Smiles:
N#Cc1nccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__