1-Oxooctahydro-1h-isochromene-5-carboxylic acid
1-oxo-3,4,4a,5,6,7,8,8a-octahydroisochromene-5-carboxylic acid
Also Known As: 1-oxooctahydro-1h-isochromene-5-carboxylic acid|1-Oxooctahydro-1H-2-benzopyran-5-carboxylic acid|1H-2-Benzopyran-5-carboxylicacid,octahydro-1-oxo|1-oxo-3,4,4a,5,6,7,8,8a-octahydroisochromene-5-carboxylic acid|1H-2-Benzopyran-5-carboxylicacid, octahydro-1-oxo-
CAS: 7145-41-7
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.0892 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0892 |
| Monoisotopic Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 7145-41-7 |
|---|---|
| SMILES | C1CC2C(CCOC2=O)C(C1)C(=O)O |
| InChIKey | POEHYBNLIKEJOJ-UHFFFAOYSA-N |
Product Overview
1-Oxooctahydro-1h-isochromene-5-carboxylic acid (CAS 7145-41-7), with molecular formula C10H14O4 and molecular weight 198.0892 g/mol. IUPAC: 1-oxo-3,4,4a,5,6,7,8,8a-octahydroisochromene-5-carboxylic 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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