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14721-68-7 | Hexadecanoic acid, 2-hydroxy-3,7,11,15-tetramethyl-
CAS No: 14721-68-7 Catalog No: AG001EPT MDL No:
Product Description
Catalog Number:
AG001EPT
Chemical Name:
Hexadecanoic acid, 2-hydroxy-3,7,11,15-tetramethyl-
CAS Number:
14721-68-7
Molecular Formula:
C20H40O3
Molecular Weight:
328.5298
IUPAC Name:
2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
InChI:
InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)
InChI Key:
CGKMKXBKVBXUGK-UHFFFAOYSA-N
SMILES:
CC(CCCC(C(C(=O)O)O)C)CCCC(CCCC(C)C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.298g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.537g/mol
Monoisotopic Mass:
328.298g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
Literature
| Title | Journal |
|---|---|
| Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach. | Journal of applied toxicology : JAT 20140701 |
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