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18153-17-8 | Benzenepropanenitrile, 3-cyano-
CAS No: 18153-17-8 Catalog No: AG0022Y8 MDL No:
Product Description
Catalog Number:
AG0022Y8
Chemical Name:
Benzenepropanenitrile, 3-cyano-
CAS Number:
18153-17-8
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
3-(2-cyanoethyl)benzonitrile
InChI:
InChI=1S/C10H8N2/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1,3-4,7H,2,5H2
InChI Key:
MBNOSTIQIBIATJ-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc(c1)C#N
NSC Number:
117832
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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