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125732-13-0 | Benzenepropanoic acid, 2,6-dimethoxy-β-oxo-, ethyl ester
CAS No: 125732-13-0 Catalog No: AG000OL5 MDL No:MFCD08458320
Product Description
Catalog Number:
AG000OL5
Chemical Name:
Benzenepropanoic acid, 2,6-dimethoxy-β-oxo-, ethyl ester
CAS Number:
125732-13-0
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD08458320
IUPAC Name:
ethyl 3-(2,6-dimethoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C13H16O5/c1-4-18-12(15)8-9(14)13-10(16-2)6-5-7-11(13)17-3/h5-7H,4,8H2,1-3H3
InChI Key:
BRLFOVUCDCNWOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1c(OC)cccc1OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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