AB64155
6136-68-1 | 3-Acetylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB64155
ChemicalName
3-Acetylbenzonitrile
CasNumber
6136-68-1
MolecularFormula
C9H7NO
MolecularWeight
145.158
MdlNumber
MFCD00001806
Smiles
N#Cc1cccc(c1)C(=O)C
NscNumber
210360
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB64155
ChemicalName: 3-Acetylbenzonitrile
CasNumber: 6136-68-1
MolecularFormula: C9H7NO
MolecularWeight: 145.158
MdlNumber: MFCD00001806
Smiles: N#Cc1cccc(c1)C(=O)C
NscNumber: 210360
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB64155
ChemicalName:
3-Acetylbenzonitrile
CasNumber:
6136-68-1
MolecularFormula:
C9H7NO
MolecularWeight:
145.158
MdlNumber:
MFCD00001806
Smiles:
N#Cc1cccc(c1)C(=O)C
NscNumber:
210360
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)[C@]12C[C@H]3C[C@@H]2C[C@@H](C1)C3
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)[C@]12C[C@H]3C[C@@H]2C[C@@H](C1)C3
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=Nc1cccc(c1)C(=O)C
NscNumber: __
Complexity: 221
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C=Nc1cccc(c1)C(=O)C
NscNumber:
__
Complexity:
221
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cccnc1
NscNumber: __
Complexity: 112
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1cccnc1
NscNumber:
__
Complexity:
112
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4