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14531-35-2 | Eicosanoic acid, 3-oxo-, methyl ester
CAS No: 14531-35-2 Catalog No: AG001KSL MDL No:
Product Description
Catalog Number:
AG001KSL
Chemical Name:
Eicosanoic acid, 3-oxo-, methyl ester
CAS Number:
14531-35-2
Molecular Formula:
C21H40O3
Molecular Weight:
340.5405
IUPAC Name:
methyl 3-oxoicosanoate
InChI:
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24-2/h3-19H2,1-2H3
InChI Key:
ZHYWEHNCZJJFQZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)CC(=O)OC
EC Number:
238-556-3
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.298g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.548g/mol
Monoisotopic Mass:
340.298g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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