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5005-40-3 | 2-phenyl-2-(pyridin-3-yl)acetonitrile
CAS No: 5005-40-3 Catalog No: AG00DJCI MDL No:
Product Description
Catalog Number:
AG00DJCI
Chemical Name:
2-phenyl-2-(pyridin-3-yl)acetonitrile
CAS Number:
5005-40-3
IUPAC Name:
2-phenyl-2-pyridin-3-ylacetonitrile
InChI:
InChI=1S/C13H10N2/c14-9-13(11-5-2-1-3-6-11)12-7-4-8-15-10-12/h1-8,10,13H
InChI Key:
DRXYWEDFYCDJKC-UHFFFAOYSA-N
NSC Number:
114161
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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