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119035-03-9 | 1H-Indene-2-carboxylic acid, 2,3-dihydro-5,6-dimethoxy-1-oxo-, methyl ester
CAS No: 119035-03-9 Catalog No: AG000I3B MDL No:
Product Description
Catalog Number:
AG000I3B
Chemical Name:
1H-Indene-2-carboxylic acid, 2,3-dihydro-5,6-dimethoxy-1-oxo-, methyl ester
CAS Number:
119035-03-9
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
IUPAC Name:
methyl 5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
InChI:
InChI=1S/C13H14O5/c1-16-10-5-7-4-9(13(15)18-3)12(14)8(7)6-11(10)17-2/h5-6,9H,4H2,1-3H3
InChI Key:
GCAZSPNHQCLECL-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2c(C1=O)cc(c(c2)OC)OC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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