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1273599-83-9 | 1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS No: 1273599-83-9 Catalog No: AG000WZD MDL No:MFCD18647795
Product Description
Catalog Number:
AG000WZD
Chemical Name:
1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS Number:
1273599-83-9
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD18647795
IUPAC Name:
ethyl 3-oxo-1,2-dihydroindene-4-carboxylate
InChI:
InChI=1S/C12H12O3/c1-2-15-12(14)9-5-3-4-8-6-7-10(13)11(8)9/h3-5H,2,6-7H2,1H3
InChI Key:
XKYIHVGVMXLBHN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1C(=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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