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29710-25-6 | Octadecanoic acid, 12-hydroxy-, 2-ethylhexyl ester
CAS No: 29710-25-6 Catalog No: AG002Z75 MDL No:
Product Description
Catalog Number:
AG002Z75
Chemical Name:
Octadecanoic acid, 12-hydroxy-, 2-ethylhexyl ester
CAS Number:
29710-25-6
Molecular Formula:
C26H52O3
Molecular Weight:
412.6893
IUPAC Name:
2-ethylhexyl 12-hydroxyoctadecanoate
InChI:
InChI=1S/C26H52O3/c1-4-7-9-16-20-25(27)21-17-14-12-10-11-13-15-18-22-26(28)29-23-24(6-3)19-8-5-2/h24-25,27H,4-23H2,1-3H3
InChI Key:
GLCFQKXOQDQJFZ-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCC(=O)OCC(CCCC)CC)O
EC Number:
249-793-7
UNII:
B7I80BVV5E
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.392g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.699g/mol
Monoisotopic Mass:
412.392g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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