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Home > Aldehydes > 831171-86-9
831171-86-9 | Benzaldehyde, 2-(2-oxo-3-phenylpropyl)-
CAS No: 831171-86-9 Catalog No: AG008JWO MDL No:
Product Description
Catalog Number:
AG008JWO
Chemical Name:
Benzaldehyde, 2-(2-oxo-3-phenylpropyl)-
CAS Number:
831171-86-9
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
2-(2-oxo-3-phenylpropyl)benzaldehyde
InChI:
InChI=1S/C16H14O2/c17-12-15-9-5-4-8-14(15)11-16(18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChI Key:
QJXDARWZKFFFNY-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CC(=O)Cc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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