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101925-74-0 | 9,12,15-Octadecatrienoic acid, 3-hydroxypropyl ester, (Z,Z,Z)- (9CI)
CAS No: 101925-74-0 Catalog No: AG0005YA MDL No:
Product Description
Catalog Number:
AG0005YA
Chemical Name:
9,12,15-Octadecatrienoic acid, 3-hydroxypropyl ester, (Z,Z,Z)- (9CI)
CAS Number:
101925-74-0
Molecular Formula:
C21H36O3
Molecular Weight:
336.5087
IUPAC Name:
3-hydroxypropyl octadeca-9,12,15-trienoate
InChI:
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)24-20-17-19-22/h3-4,6-7,9-10,22H,2,5,8,11-20H2,1H3
InChI Key:
VWDCSTSVYSAVEP-UHFFFAOYSA-N
SMILES:
OCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.266g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.516g/mol
Monoisotopic Mass:
336.266g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.9
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