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84244-35-9 | Octadecanoic acid, 2-(hexadecyloxy)-1-(hydroxymethyl)ethyl ester
CAS No: 84244-35-9 Catalog No: AG004XY8 MDL No:
Product Description
Catalog Number:
AG004XY8
Chemical Name:
Octadecanoic acid, 2-(hexadecyloxy)-1-(hydroxymethyl)ethyl ester
CAS Number:
84244-35-9
Molecular Formula:
C37H74O4
Molecular Weight:
582.9811
IUPAC Name:
(1-hexadecoxy-3-hydroxypropan-2-yl) octadecanoate
InChI:
InChI=1S/C37H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36,38H,3-35H2,1-2H3
InChI Key:
ALBMTLREXAADKV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(OC(=O)CCCCCCCCCCCCCCCCC)CO
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.559g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
582.995g/mol
Monoisotopic Mass:
582.559g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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