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150969-55-4 | 1H-Indene-5-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS No: 150969-55-4 Catalog No: AG001MY9 MDL No:
Product Description
Catalog Number:
AG001MY9
Chemical Name:
1H-Indene-5-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS Number:
150969-55-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
ethyl 3-oxo-1,2-dihydroindene-5-carboxylate
InChI:
InChI=1S/C12H12O3/c1-2-15-12(14)9-4-3-8-5-6-11(13)10(8)7-9/h3-4,7H,2,5-6H2,1H3
InChI Key:
DGZUXEHMIBGXIT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)C(=O)CC2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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