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7361-80-0 | 9,12,15-Octadecatrienoicacid, methyl ester
CAS No: 7361-80-0 Catalog No: AG005C4X MDL No:
Product Description
Catalog Number:
AG005C4X
Chemical Name:
9,12,15-Octadecatrienoicacid, methyl ester
CAS Number:
7361-80-0
Molecular Formula:
C19H32O2
Molecular Weight:
292.4562
IUPAC Name:
methyl octadeca-9,12,15-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/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3
InChI Key:
DVWSXZIHSUZZKJ-UHFFFAOYSA-N
SMILES:
CCC=CCC=CCC=CCCCCCCCC(=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:
6.2
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