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83826-32-8

83826-32-8 | Octadecanoic acid, 2-(2-hydroxymethylethoxy)methylethyl ester

CAS No: 83826-32-8 Catalog No: AG0054TR MDL No:

Product Description

Catalog Number:
AG0054TR
Chemical Name:
Octadecanoic acid, 2-(2-hydroxymethylethoxy)methylethyl ester
CAS Number:
83826-32-8
Molecular Formula:
C24H48O4
Molecular Weight:
400.6355
IUPAC Name:
3-(3-hydroxypropoxy)propyl octadecanoate
InChI:
InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)28-23-18-22-27-21-17-20-25/h25H,2-23H2,1H3
InChI Key:
SKPURKHBHODMGR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCCOCCCO

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.355g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
400.644g/mol
Monoisotopic Mass:
400.355g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4  

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