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146736-80-3 | 5,10,12-Octadecatrienoic acid, ethyl ester, (Z,E,Z)- (9CI)
CAS No: 146736-80-3 Catalog No: AG001E9K MDL No:
Product Description
Catalog Number:
AG001E9K
Chemical Name:
5,10,12-Octadecatrienoic acid, ethyl ester, (Z,E,Z)- (9CI)
CAS Number:
146736-80-3
Molecular Formula:
C20H34O2
Molecular Weight:
306.4828
IUPAC Name:
ethyl octadeca-5,10,12-trienoate
InChI:
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-11,15-16H,3-7,12-14,17-19H2,1-2H3
InChI Key:
ZQWAAUSQQHFZLL-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C=C\CCC/C=C\CCCC(=O)OCC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
6.6
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