9,12-Octadecadienoic acid (9Z,12Z)-, 2,3-dihydroxypropyl ester


Chemical Name: 9,12-Octadecadienoic acid (9Z,12Z)-, 2,3-dihydroxypropyl ester
CAS Number: 2277-28-3
Product Number: AG007NWI(AGN-PC-0QZDU9)
Synonyms:
MDL No:
Molecular Formula: C21H38O4
Molecular Weight: 354.5240

Identification/Properties


Computed Properties
Molecular Weight:
354.531g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
18
Exact Mass:
354.277g/mol
Monoisotopic Mass:
354.277g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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