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Home Aldehydes 2-Acetylbenzaldehyde

2-Acetylbenzaldehyde

CAS No.:
24257-93-0
Catalog Number:
AG003GBB
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
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Product Description
Catalog Number:
AG003GBB
Chemical Name:
2-Acetylbenzaldehyde
CAS Number:
24257-93-0
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD05865162
IUPAC Name:
2-acetylbenzaldehyde
InChI:
InChI=1S/C9H8O2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-6H,1H3
InChI Key:
VDEAMZDXUCYOQJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(=O)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Rational design of inhibitors of VirA-VirG two-component signal transduction. Bioorganic & medicinal chemistry letters 20070615
Kinetics and products of photolysis and reaction with OH radicals of a series of aromatic carbonyl compounds. Environmental science & technology 20060901
Properties