1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-
2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid
Also Known As: (7,7-Dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)acetic acid|1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-|2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid|1,4-dioxo-7,7-dimethyl-4,5,6,7-tetrahydro-2-indanacetic acid|7,7-dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydroinden-2-ylacetic acid
CAS: 59488-99-2
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10486 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Monoisotopic Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 59488-99-2 |
|---|---|
| SMILES | CC1(CCC(=O)C2=C1C(=O)C(C2)CC(=O)O)C |
| InChIKey | UDGQJBVBTOPBIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Organic Building Blocks (2 patents)
Product Overview
1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- (CAS 59488-99-2), with molecular formula C13H16O4 and molecular weight 236.10486 g/mol. IUPAC: 2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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