Basic information
- CAS
8076-09-3- Standard SMILES
CC1=CCC2(C)C(=O)OC(=O)C2C1- InChIKey
KZOXZUAKJBQECI-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- IUPAC
- 5,7a-dimethyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
Names & synonyms
8076-09-33a,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dioneEINECS 232-517-4SCHEMBL10099739KZOXZUAKJBQECI-UHFFFAOYSA-NDTXSID8010014733a,4,7,7a-Tetrahydro-3a,5(or 3a,6)-dimethylisobenzofuran-1,3-dione
Database identifiers
- CAS
8076-09-3- PubChem CID
- 111990
- DTXSID
DTXSID801001473- EC Number
- 232-517-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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