ethyl 2-[(3-methoxyphenyl)methyl]-3-oxohexanoate


Chemical Name: ethyl 2-[(3-methoxyphenyl)methyl]-3-oxohexanoate
CAS Number: 885279-96-9
Product Number: AG004593(AGN-PC-09RR37)
Synonyms:
MDL No:
Molecular Formula: C16H22O4
Molecular Weight: 278.3435

Identification/Properties


Computed Properties
Molecular Weight:
278.348g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
278.152g/mol
Monoisotopic Mass:
278.152g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
314
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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