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29565-44-4 | Octadecatrienoic acid, methyl ester
CAS No: 29565-44-4 Catalog No: AG002YS2 MDL No:
Product Description
Catalog Number:
AG002YS2
Chemical Name:
Octadecatrienoic acid, methyl ester
CAS Number:
29565-44-4
Molecular Formula:
C19H32O2
Molecular Weight:
292.4562
IUPAC Name:
methyl octadeca-2,4,6-trienoate
InChI:
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-18H,3-12H2,1-2H3
InChI Key:
FCNUJOJMMBVSPQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC=CC=CC=CC(=O)OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.24g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.463g/mol
Monoisotopic Mass:
292.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
7.5
Literature
| Title | Journal |
|---|---|
| [Analysis of volatile components of flowers of Fritillaria thunbergii by GC-TOF-MS]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20111001 |
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