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116613-87-7 | Hexadecanoic acid, 3-[(1-oxopentyl)oxy]-, methyl ester
CAS No: 116613-87-7 Catalog No: AG000CVE MDL No:
Product Description
Catalog Number:
AG000CVE
Chemical Name:
Hexadecanoic acid, 3-[(1-oxopentyl)oxy]-, methyl ester
CAS Number:
116613-87-7
Molecular Formula:
C22H42O4
Molecular Weight:
370.5665
IUPAC Name:
methyl 3-pentanoyloxyhexadecanoate
InChI:
InChI=1S/C22H42O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-20(19-22(24)25-3)26-21(23)18-7-5-2/h20H,4-19H2,1-3H3
InChI Key:
AFMUGLJXEXFPOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(OC(=O)CCCC)CC(=O)OC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.308g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.574g/mol
Monoisotopic Mass:
370.308g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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