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626-22-2 | 2,2'-(1,3-Phenylene);diacetonitrile
CAS No: 626-22-2 Catalog No: AG003DLE MDL No:MFCD00001915
Product Description
Catalog Number:
AG003DLE
Chemical Name:
2,2'-(1,3-Phenylene);diacetonitrile
CAS Number:
626-22-2
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD00001915
IUPAC Name:
2-[3-(cyanomethyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChI Key:
GRPFZJNUYXIVSL-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)CC#N
EC Number:
210-936-3
UNII:
P3W7U10SP7
NSC Number:
77095
Properties
Complexity:
203
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:
1.3
Literature
| Title | Journal |
|---|---|
| C-H cleavage and double alkyl additions to the disulfido ligand in dicyanido-bridged Ru2S2 complexes. | Inorganic chemistry 20070430 |
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