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102222-55-9 | Benzenebutanoic acid, 2,3,4-trimethoxy-γ-oxo-, ethyl ester
CAS No: 102222-55-9 Catalog No: AG0006YR MDL No:MFCD09801964
Product Description
Catalog Number:
AG0006YR
Chemical Name:
Benzenebutanoic acid, 2,3,4-trimethoxy-γ-oxo-, ethyl ester
CAS Number:
102222-55-9
Molecular Formula:
C15H20O6
Molecular Weight:
296.3157
MDL Number:
MFCD09801964
IUPAC Name:
ethyl 4-oxo-4-(2,3,4-trimethoxyphenyl)butanoate
InChI:
InChI=1S/C15H20O6/c1-5-21-13(17)9-7-11(16)10-6-8-12(18-2)15(20-4)14(10)19-3/h6,8H,5,7,9H2,1-4H3
InChI Key:
GFLCIOZBTDJFJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(c(c1OC)OC)OC
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.319g/mol
Monoisotopic Mass:
296.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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