9-Octadecenoic acid (9Z)-, (2S)-2,3-dihydroxypropyl ester


Chemical Name: 9-Octadecenoic acid (9Z)-, (2S)-2,3-dihydroxypropyl ester
CAS Number: 129784-87-8
Product Number: AG000TO9(AGN-PC-0PJ2MJ)
Synonyms:
MDL No: MFCD00067258
Molecular Formula: C21H40O4
Molecular Weight: 356.5399

Identification/Properties


Computed Properties
Molecular Weight:
356.547g/mol
XLogP3:
6.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
19
Exact Mass:
356.293g/mol
Monoisotopic Mass:
356.293g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
315
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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