9-Octadecenoic acid (9Z)-, butyl ester


Chemical Name: 9-Octadecenoic acid (9Z)-, butyl ester
CAS Number: 142-77-8
Product Number: AG007Z9U(AGN-PC-0PSYDY)
Synonyms:
MDL No:
Molecular Formula: C22H42O2
Molecular Weight: 338.5677

Identification/Properties


Computed Properties
Molecular Weight:
338.576g/mol
XLogP3:
8.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
19
Exact Mass:
338.318g/mol
Monoisotopic Mass:
338.318g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
284
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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