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148050-74-2 | 1H-Indene-4-carboxylicacid, 2,3-dihydro-6,7-dimethoxy-1-oxo-
CAS No: 148050-74-2 Catalog No: AG001FET MDL No:
Product Description
Catalog Number:
AG001FET
Chemical Name:
1H-Indene-4-carboxylicacid, 2,3-dihydro-6,7-dimethoxy-1-oxo-
CAS Number:
148050-74-2
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
6,7-dimethoxy-1-oxo-2,3-dihydroindene-4-carboxylic acid
InChI:
InChI=1S/C12H12O5/c1-16-9-5-7(12(14)15)6-3-4-8(13)10(6)11(9)17-2/h5H,3-4H2,1-2H3,(H,14,15)
InChI Key:
QJLPMQHRISPJEE-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c2c(c1OC)C(=O)CC2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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