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29030-80-6 | Pentacosanoic acid, ethyl ester
CAS No: 29030-80-6 Catalog No: AG002V9G MDL No:
Product Description
Catalog Number:
AG002V9G
Chemical Name:
Pentacosanoic acid, ethyl ester
CAS Number:
29030-80-6
Molecular Formula:
C27H54O2
Molecular Weight:
410.7165
IUPAC Name:
ethyl pentacosanoate
InChI:
InChI=1S/C27H54O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-4-2/h3-26H2,1-2H3
InChI Key:
HZLJOMXKSSFKNU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
EC Number:
249-378-0
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.412g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.727g/mol
Monoisotopic Mass:
410.412g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
Literature
| Title | Journal |
|---|---|
| Chemical Examination of Citrus sinensis Flavedo Variety Pineapple. | Indian journal of pharmaceutical sciences 20090101 |
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