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122546-20-7 | Octadecanoic acid, 12-hydroxy-, 2-hydroxy-1,3-propanediyl ester (9CI)
CAS No: 122546-20-7 Catalog No: AG0017FI MDL No:
Product Description
Catalog Number:
AG0017FI
Chemical Name:
Octadecanoic acid, 12-hydroxy-, 2-hydroxy-1,3-propanediyl ester (9CI)
CAS Number:
122546-20-7
Molecular Formula:
C21H42O6
Molecular Weight:
390.5546
IUPAC Name:
2,3-dihydroxypropyl 2,2-dihydroxyoctadecanoate
InChI:
InChI=1S/C21H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25,26)20(24)27-18-19(23)17-22/h19,22-23,25-26H,2-18H2,1H3
InChI Key:
NJWOORNSRKNXJS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OCC(CO)O)(O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.298g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
390.561g/mol
Monoisotopic Mass:
390.298g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Amended final report on the safety assessment of glyceryl dilaurate, glyceryl diarachidate, glyceryl dibehenate, glyceryl dierucate, glyceryl dihydroxystearate, glyceryl diisopalmitate, glyceryl diisostearate, glyceryl dilinoleate, glyceryl dimyristate, glyceryl dioleate, glyceryl diricinoleate, glyceryl dipalmitate, glyceryl dipalmitoleate, glyceryl distearate, glyceryl palmitate lactate, glyceryl stearate citrate, glyceryl stearate lactate, and glyceryl stearate succinate. | International journal of toxicology 20070101 |
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