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10266-44-1 | Benzeneacetonitrile, 3-acetyl-
CAS No: 10266-44-1 Catalog No: AG000829 MDL No:
Product Description
Catalog Number:
AG000829
Chemical Name:
Benzeneacetonitrile, 3-acetyl-
CAS Number:
10266-44-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
2-(3-acetylphenyl)acetonitrile
InChI:
InChI=1S/C10H9NO/c1-8(12)10-4-2-3-9(7-10)5-6-11/h2-4,7H,5H2,1H3
InChI Key:
PXRRKRROENIXBL-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)C(=O)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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