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151-13-3 | 9-Octadecenoic acid, 12-hydroxy-, butyl ester, (9Z,12R)-
CAS No: 151-13-3 Catalog No: AG001N01 MDL No:MFCD00136031
Product Description
Catalog Number:
AG001N01
Chemical Name:
9-Octadecenoic acid, 12-hydroxy-, butyl ester, (9Z,12R)-
CAS Number:
151-13-3
Molecular Formula:
C22H42O3
Molecular Weight:
354.5671
MDL Number:
MFCD00136031
IUPAC Name:
butyl (Z,12R)-12-hydroxyoctadec-9-enoate
InChI:
InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1
InChI Key:
HGWAKQDTQVDVRP-OKULMJQMSA-N
SMILES:
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)O
EC Number:
205-785-5
UNII:
7V4LQ69321
NSC Number:
2328
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
354.313g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.575g/mol
Monoisotopic Mass:
354.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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