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89609-29-0 | 6,10-Dodecadienoic acid, 3-ethenyl-3,7,11-trimethyl-, (E)-
CAS No: 89609-29-0 Catalog No: AG003YQ1 MDL No:
Product Description
Catalog Number:
AG003YQ1
Chemical Name:
6,10-Dodecadienoic acid, 3-ethenyl-3,7,11-trimethyl-, (E)-
CAS Number:
89609-29-0
Molecular Formula:
C17H28O2
Molecular Weight:
264.4030
IUPAC Name:
3-ethenyl-3,7,11-trimethyldodeca-6,10-dienoic acid
InChI:
InChI=1S/C17H28O2/c1-6-17(5,13-16(18)19)12-8-11-15(4)10-7-9-14(2)3/h6,9,11H,1,7-8,10,12-13H2,2-5H3,(H,18,19)
InChI Key:
NIVUQADVUOWZBY-UHFFFAOYSA-N
SMILES:
C=CC(CC(=O)O)(CC/C=C(/CCC=C(C)C)\C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.409g/mol
Monoisotopic Mass:
264.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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