Basic information
- Standard SMILES
COC(=O)C(=O)c1ccc2c(c1)CC(C)(C)C2- InChIKey
YPBPPAKHGWRLQU-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-alpha-oxo-5-indanacetic acid methyl ester
- IUPAC
- methyl 2-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-oxoacetate
Names & synonyms
SCHEMBL11529706YPBPPAKHGWRLQU-UHFFFAOYSA-N2,2-dimethyl-alpha-oxo-5-indanacetic acid methyl ester
Database identifiers
- PubChem CID
- 54519940
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
2 records
Compound notes
Loading…