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13017-64-6 | Propanedinitrile, 2-(2-methylcyclohexylidene)-
CAS No: 13017-64-6 Catalog No: AG000U3L MDL No:
Product Description
Catalog Number:
AG000U3L
Chemical Name:
Propanedinitrile, 2-(2-methylcyclohexylidene)-
CAS Number:
13017-64-6
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
IUPAC Name:
2-(2-methylcyclohexylidene)propanedinitrile
InChI:
InChI=1S/C10H12N2/c1-8-4-2-3-5-10(8)9(6-11)7-12/h8H,2-5H2,1H3
InChI Key:
JESJIAALSNRYGC-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCCCC1C)C#N
NSC Number:
108973
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Diastereoselective protonation on radical anions of electron-deficient alkenes via photoinduced electron transfer. | The Journal of organic chemistry 20040723 |
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