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Methyl 6-methoxy-1-indanone-7-carboxylate (33521-63-0)

Identification
Name:Methyl 6-methoxy-1-indanone-7-carboxylate
Synonyms:2,3-dihydro-1-oxo-1H-Indene-5-carboxylic acid;
CAS:33521-63-0
Molecular Formula: C12H12O4
Molecular Weight: 220.22128
InChI: InChI=1/C12H12O4/c1-15-9-6-4-7-3-5-8(13)10(7)11(9)12(14)16-2/h4,6H,3,5H2,1-2H3
Molecular Structure: (C12H12O4) 2,3-dihydro-1-oxo-1H-Indene-5-carboxylic acid;
Properties
Flash Point: 172.968°C
Boiling Point: 384.027°C at 760 mmHg
Density:1.245g/cm3
Refractive index:1.558
Specification:

The Methyl 6-methoxy-1-indanone-7-carboxylate, with the cas registry number 33521-63-0, has the IUPAC name of methyl 5-methoxy-3-oxo-1,2-dihydroindene-4-carboxylate. This chemical has its formular of C12H12O4, with twelve carton, twelve hydrogen (H) and four oxygen.

The characteristics of this chemical are as follows: (1)XLogP3-AA: 1.5; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 3; (4)Tautomer Count: 2; (5)Exact Mass: 220.073559; (6)MonoIsotopic Mass: 220.073559; (7)Topological Polar Surface Area: 52.6; (8)Heavy Atom Count: 16; (9)Complexity: 299; (10)Covalently-Bonded Unit Count: 1.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC1=C(C2=C(CCC2=O)C=C1)C(=O)OC
(2)InChI: InChI=1S/C12H12O4/c1-15-9-6-4-7-3-5-8(13)10(7)11(9)12(14)16-2/h4,6H,3,5H2,1-2H3
(3)InChIKey: RZXOQELJQWGFIS-UHFFFAOYSA-N 

Flash Point: 172.968°C
Safety Data
 

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