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74124-36-0 | Eicosanoic acid,2-hexadecyl-3-hydroxy-
CAS No: 74124-36-0 Catalog No: AG005HH0 MDL No:
Product Description
Catalog Number:
AG005HH0
Chemical Name:
Eicosanoic acid,2-hexadecyl-3-hydroxy-
CAS Number:
74124-36-0
Molecular Formula:
C36H72O3
Molecular Weight:
552.9551
IUPAC Name:
2-hexadecyl-3-hydroxyicosanoic acid
InChI:
InChI=1S/C36H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)34(36(38)39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37H,3-33H2,1-2H3,(H,38,39)
InChI Key:
KUBWXAZCUFSNLT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(C(C(=O)O)CCCCCCCCCCCCCCCC)O
EC Number:
277-729-8
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.548g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
552.969g/mol
Monoisotopic Mass:
552.548g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
16.4
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