AB64154
41908-11-6 | 3-Acetylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB64154
ChemicalName
3-Acetylbenzaldehyde
CasNumber
41908-11-6
MolecularFormula
C9H8O2
MolecularWeight
148.1586
MdlNumber
MFCD05865161
Smiles
O=Cc1cccc(c1)C(=O)C
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB64154
ChemicalName: 3-Acetylbenzaldehyde
CasNumber: 41908-11-6
MolecularFormula: C9H8O2
MolecularWeight: 148.1586
MdlNumber: MFCD05865161
Smiles: O=Cc1cccc(c1)C(=O)C
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB64154
ChemicalName:
3-Acetylbenzaldehyde
CasNumber:
41908-11-6
MolecularFormula:
C9H8O2
MolecularWeight:
148.1586
MdlNumber:
MFCD05865161
Smiles:
O=Cc1cccc(c1)C(=O)C
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB64155
ChemicalName: 3-Acetylbenzonitrile
CasNumber: 6136-68-1
MolecularFormula: C9H7NO
MolecularWeight: 145.158
MdlNumber: MFCD00001806
Smiles: N#Cc1cccc(c1)C(=O)C
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
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
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
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=Nc1cccc(c1)C(=O)C
Complexity: 221
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C=Nc1cccc(c1)C(=O)C
Complexity:
221
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1