CAS 89609-28-9 | 6-Octenoic acid, 3-ethenyl-3,7-dimethyl- | CAS Number 89609-28-9

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89609-28-9 | 6-Octenoic acid, 3-ethenyl-3,7-dimethyl-

CAS No: 89609-28-9 Catalog No: AG003WTW MDL No:

Product Description

Catalog Number:

AG003WTW

Chemical Name:

6-Octenoic acid, 3-ethenyl-3,7-dimethyl-

CAS Number:

89609-28-9

Molecular Formula:

C12H20O2

Molecular Weight:

196.2860

IUPAC Name:

3-ethenyl-3,7-dimethyloct-6-enoic acid

InChI:

InChI=1S/C12H20O2/c1-5-12(4,9-11(13)14)8-6-7-10(2)3/h5,7H,1,6,8-9H2,2-4H3,(H,13,14)

InChI Key:

LVUOVZBYBQSRKR-UHFFFAOYSA-N

SMILES:

C=CC(CC(=O)O)(CCC=C(C)C)C

Properties

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.29g/mol

Monoisotopic Mass:

196.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
[Analysis on changes of chemical compounds in different samples of fried Foeniculum vulgare].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090401
Anti-collagenase, anti-elastase and anti-oxidant activities of extracts from 21 plants.	BMC complementary and alternative medicine 20090101