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16466-63-0 | Heptanedinitrile, 4-(cyanomethyl)-
CAS No: 16466-63-0 Catalog No: AG001V0P MDL No:
Product Description
Catalog Number:
AG001V0P
Chemical Name:
Heptanedinitrile, 4-(cyanomethyl)-
CAS Number:
16466-63-0
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
4-(cyanomethyl)heptanedinitrile
InChI:
InChI=1S/C9H11N3/c10-6-1-3-9(5-8-12)4-2-7-11/h9H,1-5H2
InChI Key:
RNRJBBSYAHMHLC-UHFFFAOYSA-N
SMILES:
N#CCC(CCC#N)CCC#N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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