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141-22-0 | 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-
CAS No: 141-22-0 Catalog No: AG001FPQ MDL No:MFCD00084840
Product Description
Catalog Number:
AG001FPQ
Chemical Name:
9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-
CAS Number:
141-22-0
Molecular Formula:
C18H34O3
Molecular Weight:
298.4608
MDL Number:
MFCD00084840
IUPAC Name:
(Z,12R)-12-hydroxyoctadec-9-enoic acid
InChI:
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChI Key:
WBHHMMIMDMUBKC-QJWNTBNXSA-N
SMILES:
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
UNII:
I2D0F69854
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
298.251g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.467g/mol
Monoisotopic Mass:
298.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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