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14655-36-8 | Benzeneacetic acid, 3,4,5-trimethoxy-α-oxo-, ethyl ester
CAS No: 14655-36-8 Catalog No: AG001E4M MDL No:MFCD09801442
Product Description
Catalog Number:
AG001E4M
Chemical Name:
Benzeneacetic acid, 3,4,5-trimethoxy-α-oxo-, ethyl ester
CAS Number:
14655-36-8
Molecular Formula:
C13H16O6
Molecular Weight:
268.2625
MDL Number:
MFCD09801442
IUPAC Name:
ethyl 2-oxo-2-(3,4,5-trimethoxyphenyl)acetate
InChI:
InChI=1S/C13H16O6/c1-5-19-13(15)11(14)8-6-9(16-2)12(18-4)10(7-8)17-3/h6-7H,5H2,1-4H3
InChI Key:
AXRCXDFRVQRVDY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.265g/mol
Monoisotopic Mass:
268.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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