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138145-56-9 | Pentanedinitrile, 3-(phenylmethyl)-
CAS No: 138145-56-9 Catalog No: AG001823 MDL No:
Product Description
Catalog Number:
AG001823
Chemical Name:
Pentanedinitrile, 3-(phenylmethyl)-
CAS Number:
138145-56-9
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
3-benzylpentanedinitrile
InChI:
InChI=1S/C12H12N2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,12H,6-7,10H2
InChI Key:
YFKVMGWXXLHWGZ-UHFFFAOYSA-N
SMILES:
N#CCC(Cc1ccccc1)CC#N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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