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147373-96-4 | Benzenebutanoic acid, 3-methoxy-γ-oxo-, ethyl ester
CAS No: 147373-96-4 Catalog No: AG001EUU MDL No:
Product Description
Catalog Number:
AG001EUU
Chemical Name:
Benzenebutanoic acid, 3-methoxy-γ-oxo-, ethyl ester
CAS Number:
147373-96-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
ethyl 4-(3-methoxyphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H16O4/c1-3-17-13(15)8-7-12(14)10-5-4-6-11(9-10)16-2/h4-6,9H,3,7-8H2,1-2H3
InChI Key:
DVJMVEWPRBDHPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cccc(c1)OC
Properties
Complexity:
262
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:
1.7
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