AB66506
3457-45-2 | 4-acetylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB66506
ChemicalName
4-acetylbenzaldehyde
CasNumber
3457-45-2
MolecularFormula
C9H8O2
MolecularWeight
148.1586
MdlNumber
MFCD02093689
Smiles
O=Cc1ccc(cc1)C(=O)C
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AB66506
ChemicalName: 4-acetylbenzaldehyde
CasNumber: 3457-45-2
MolecularFormula: C9H8O2
MolecularWeight: 148.1586
MdlNumber: MFCD02093689
Smiles: O=Cc1ccc(cc1)C(=O)C
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB66506
ChemicalName:
4-acetylbenzaldehyde
CasNumber:
3457-45-2
MolecularFormula:
C9H8O2
MolecularWeight:
148.1586
MdlNumber:
MFCD02093689
Smiles:
O=Cc1ccc(cc1)C(=O)C
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: CC(=O)c1ccc(cc1)S(=O)(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=O)c1ccc(cc1)S(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: CC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__