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151417-31-1 | 2,4,6,8,10-Dodecapentaynedinitrile
CAS No: 151417-31-1 Catalog No: AG001NC6 MDL No:
Product Description
Catalog Number:
AG001NC6
Chemical Name:
2,4,6,8,10-Dodecapentaynedinitrile
CAS Number:
151417-31-1
Molecular Formula:
C12N2
Molecular Weight:
172.1418
IUPAC Name:
dodeca-2,4,6,8,10-pentaynedinitrile
InChI:
InChI=1S/C12N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14
InChI Key:
KDRVPNJFLNVLAV-UHFFFAOYSA-N
SMILES:
N#CC#CC#CC#CC#CC#CC#N
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.146g/mol
Monoisotopic Mass:
172.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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