7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid
Basic information
- CAS
1133-31-9- Standard SMILES
Cc1cccc2c1C(C(=O)O)CC2=O- InChIKey
DNUXLYCNEUZECP-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid
- IUPAC
- 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylic acid
Names & synonyms
7-methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid1133-31-97-methyl-3-oxo-1,2-dihydroindene-1-carboxylic acid4-methyl-1-indanone-3-carboxylic acidMFCD18909185NSC151705SCHEMBL7220291DTXSID40302510DNUXLYCNEUZECP-UHFFFAOYSA-NAKOS016394353NSC-1517057-methyl-3-oxo-indane-1-carboxylic acid
Show more names
NS-01757
Database identifiers
- CAS
1133-31-9- PubChem CID
- 289532
- DTXSID
DTXSID40302510
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
4 records
Compound notes
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