Basic information
- CAS
17825-44-4- Standard SMILES
COc1ccc2c(c1)C(C(=O)O)CC2=O- InChIKey
RQQOLRQCNYYVOL-UHFFFAOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- 1H-Indene-1-carboxylic acid, 2,3-dihydro-6-methoxy-3-oxo-
- IUPAC
- 6-methoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
- English name
- 2,3-DIHYDRO-6-METHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
- Molecular formula
- C11H10O4
- Molecular weight
- 206.19
Names & synonyms
6-Methoxy-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acidBRN 26480161H-Indene-1-carboxylic acid, 2,3-dihydro-6-methoxy-3-oxo-DTXSID509390584-10-00-03708 (Beilstein Handbook Reference)RefChem:238557DTXCID00136756817825-44-46-methoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid6-methoxy-3-oxo-indan-1-carboxylic acid6-methoxy-3-oxo-2,3-dihydro-1H-indene-1-carboxylicacidSCHEMBL5158375
Show more names
2,3-DIHYDRO-6-METHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACIDAKOS016384321DB-325544
Database identifiers
- CAS
17825-44-4- PubChem CID
- 205362
- DTXSID
DTXSID50939058
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 186.5 · 186.5-187.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 414.6 · 414.6±45.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.51 · 3.51±0.20(Predicted)
Chemistry & industry
Applications
Uses6-Methoxy-3-oxo-2,3-dihydro-1H-indene-1-carboxylic Acid is a useful research chemical used in the preparation of indan acids as potential oral hypoglycemic agents.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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