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111517-88-5 | Propylene glycol ricinoleate
CAS No: 111517-88-5 Catalog No: AG007SV6 MDL No:
Product Description
Catalog Number:
AG007SV6
Chemical Name:
Propylene glycol ricinoleate
CAS Number:
111517-88-5
Molecular Formula:
C21H42O5
Molecular Weight:
374.5552
IUPAC Name:
(12R)-12-hydroxyoctadec-9-enoic acid;propane-1,2-diol
InChI:
InChI=1S/C18H34O3.C3H8O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3(5)2-4/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-5H,2H2,1H3/t17-;/m1./s1
InChI Key:
WJNMPINWDAQWSW-UNTBIKODSA-N
SMILES:
OCC(O)C.CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
374.303g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
374.562g/mol
Monoisotopic Mass:
374.303g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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