Octadecanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester


Chemical Name: Octadecanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number: 79408-85-8
Product Number: AG00G9JE(AGN-PC-0JMNAD)
Synonyms:
MDL No:
Molecular Formula: C28H42O4
Molecular Weight: 442.6307

Identification/Properties


Computed Properties
Molecular Weight:
442.64g/mol
XLogP3:
10.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
18
Exact Mass:
442.308g/mol
Monoisotopic Mass:
442.308g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
568
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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