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| Name |
Methyl 6-methoxy-1-indanone-7-carboxylate |
EINECS | N/A |
| CAS No. | 33521-63-0 | Density | 1.245g/cm3 |
| PSA | 52.60000 | LogP | 1.61070 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H12O4 | Boiling Point | 384.027°C at 760 mmHg |
| Molecular Weight | 220.22128 | Flash Point | 172.968°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,3-dihydro-1-oxo-1H-Indene-5-carboxylic acid; |
Methyl 6-methoxy-1-indanone-7-carboxylate 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
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