Basic information
- CAS
33521-63-0- Standard SMILES
COC(=O)c1c(OC)ccc2c1C(=O)CC2- InChIKey
RZXOQELJQWGFIS-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Methyl 5-methoxy-3-oxo-2,3-dihydro-1H-indene-4-carboxylate
- IUPAC
- methyl 5-methoxy-3-oxo-1,2-dihydroindene-4-carboxylate
- English name
- Methyl 6-methoxy-1-indanone-7-carboxylate
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
33521-63-0Methyl 5-methoxy-3-oxo-2,3-dihydro-1H-indene-4-carboxylateMethyl 6-methoxy-1-indanone-7-carboxylatemethyl 5-methoxy-3-oxo-1,2-dihydroindene-4-carboxylate5-METHOXY-3-OXO-INDAN-4-CARBOXYLIC ACID METHYL ESTERDTXSID50495023Methyl5-methoxy-3-oxo-2,3-dihydro-1H-indene-4-carboxylateAKOS015852078DB-0688455-methoxy-3-oxo-1,2-dihydroindene-4-carboxylic acid methyl ester2,3-dihydro-5-methoxy-3-oxo-1H-Indene-4-carboxylic acid methyl ester1H-Indene-4-carboxylic acid, 2,3-dihydro-5-methoxy-3-oxo-, methyl ester
Database identifiers
- CAS
33521-63-0- PubChem CID
- 12374672
- DTXSID
DTXSID50495023
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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