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19836-71-6 | 9,12-Octadecadienenitrile, (9Z,12Z)-
CAS No: 19836-71-6 Catalog No: AG002BHE MDL No:
Product Description
Catalog Number:
AG002BHE
Chemical Name:
9,12-Octadecadienenitrile, (9Z,12Z)-
CAS Number:
19836-71-6
Molecular Formula:
C18H31N
Molecular Weight:
261.4454
IUPAC Name:
octadeca-9,12-dienenitrile
InChI:
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-17H2,1H3
InChI Key:
FIHZPUAKGUAAJK-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC#N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.246g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.453g/mol
Monoisotopic Mass:
261.246g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.5
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