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113738-39-9 | Octadecanoic acid, 9-[(2-ethylhexyl)oxy]-10-hydroxy-
CAS No: 113738-39-9 Catalog No: AG0009IP MDL No:
Product Description
Catalog Number:
AG0009IP
Chemical Name:
Octadecanoic acid, 9-[(2-ethylhexyl)oxy]-10-hydroxy-
CAS Number:
113738-39-9
Molecular Formula:
C26H52O4
Molecular Weight:
428.6887
IUPAC Name:
9-(2-ethylhexoxy)-10-hydroxyoctadecanoic acid
InChI:
InChI=1S/C26H52O4/c1-4-7-9-10-12-15-19-24(27)25(30-22-23(6-3)18-8-5-2)20-16-13-11-14-17-21-26(28)29/h23-25,27H,4-22H2,1-3H3,(H,28,29)
InChI Key:
WSHOMYOXZACFSY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(OCC(CCCC)CC)CCCCCCCC(=O)O)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.387g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
428.698g/mol
Monoisotopic Mass:
428.387g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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