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15118-67-9 | Benzenebutanoic acid, 4-methoxy-γ-oxo-, ethyl ester
CAS No: 15118-67-9 Catalog No: AG001N5H MDL No:
Product Description
Catalog Number:
AG001N5H
Chemical Name:
Benzenebutanoic acid, 4-methoxy-γ-oxo-, ethyl ester
CAS Number:
15118-67-9
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
ethyl 4-(4-methoxyphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H16O4/c1-3-17-13(15)9-8-12(14)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChI Key:
FYUAOZFEVHSJTO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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