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116432-42-9 | 11-Dodecenenitrile, 12-iodo-, (E)- (9CI)
CAS No: 116432-42-9 Catalog No: AG000CGV MDL No:
Product Description
Catalog Number:
AG000CGV
Chemical Name:
11-Dodecenenitrile, 12-iodo-, (E)- (9CI)
CAS Number:
116432-42-9
Molecular Formula:
C12H20IN
Molecular Weight:
305.1984
IUPAC Name:
12-iodododec-11-enenitrile
InChI:
InChI=1S/C12H20IN/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h9,11H,1-8,10H2
InChI Key:
DUSSSQULMHGKPA-UHFFFAOYSA-N
SMILES:
I/C=C/CCCCCCCCCC#N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.203g/mol
Monoisotopic Mass:
305.064g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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