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114927-87-6 | Octadecanoic acid, 8-oxo-, ethyl ester
CAS No: 114927-87-6 Catalog No: AG000FGN MDL No:
Product Description
Catalog Number:
AG000FGN
Chemical Name:
Octadecanoic acid, 8-oxo-, ethyl ester
CAS Number:
114927-87-6
Molecular Formula:
C20H38O3
Molecular Weight:
326.5139
IUPAC Name:
ethyl 8-oxooctadecanoate
InChI:
InChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23-4-2/h3-18H2,1-2H3
InChI Key:
QNKQKFDOASBKGL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(=O)CCCCCCC(=O)OCC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.282g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.521g/mol
Monoisotopic Mass:
326.282g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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