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26591-66-2 | Propanedial, 2-phenyl-
CAS No: 26591-66-2 Catalog No: AG002TS5 MDL No:MFCD03426041
Product Description
Catalog Number:
AG002TS5
Chemical Name:
Propanedial, 2-phenyl-
CAS Number:
26591-66-2
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD03426041
IUPAC Name:
2-phenylpropanedial
InChI:
InChI=1S/C9H8O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7,9H
InChI Key:
PGTSKBVCLZBQFK-UHFFFAOYSA-N
SMILES:
O=CC(c1ccccc1)C=O
Properties
Complexity:
129
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:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Oxidative aldehyde deformylation catalyzed by NADPH-cytochrome P450 reductase and the flavoprotein domain of neuronal nitric oxide synthase. | Biochemical and biophysical research communications 20051202 |
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