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17673-60-8 | 9,12,15-Octadecatrienoic acid, octadecyl ester, (9Z,12Z,15Z)-
CAS No: 17673-60-8 Catalog No: AG0024VV MDL No:
Product Description
Catalog Number:
AG0024VV
Chemical Name:
9,12,15-Octadecatrienoic acid, octadecyl ester, (9Z,12Z,15Z)-
CAS Number:
17673-60-8
Molecular Formula:
C36H66O2
Molecular Weight:
530.9080
IUPAC Name:
octadecyl octadeca-9,12,15-trienoate
InChI:
InChI=1S/C36H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20H,3-5,7,9-11,13,15-17,19,21-35H2,1-2H3
InChI Key:
QQRQYDIHHZSQOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
EC Number:
241-657-5
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.506g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.922g/mol
Monoisotopic Mass:
530.506g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
15.1
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