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126-50-1 | Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-
CAS No: 126-50-1 Catalog No: AG000QOZ MDL No:
Product Description
Catalog Number:
AG000QOZ
Chemical Name:
Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-
CAS Number:
126-50-1
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
4-acetyl-4-(2-cyanoethyl)heptanedinitrile
InChI:
InChI=1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3
InChI Key:
JEQZAEPYFGSAIF-UHFFFAOYSA-N
SMILES:
N#CCCC(C(=O)C)(CCC#N)CCC#N
EC Number:
204-787-3
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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