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137732-44-6 | Docosanoic acid, pentacosyl ester
CAS No: 137732-44-6 Catalog No: AG0013RT MDL No:
Product Description
Catalog Number:
AG0013RT
Chemical Name:
Docosanoic acid, pentacosyl ester
CAS Number:
137732-44-6
Molecular Formula:
C47H94O2
Molecular Weight:
691.2481
IUPAC Name:
pentacosyl docosanoate
InChI:
InChI=1S/C47H94O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-49-47(48)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3
InChI Key:
HSXVHAPZNKZODX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
690.725g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
691.267g/mol
Monoisotopic Mass:
690.725g/mol
Rotatable Bond Count:
45
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23.3
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