4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Basic information
- CAS
66491-67-6- Standard SMILES
CC1=CCC2C(=O)OC(=O)C2C1C- InChIKey
JTQIJOSTTCDFGH-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- IUPAC
- 4,5-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Names & synonyms
4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione66491-67-6DTXSID50340428RefChem:285532DTXCID70291509JTQIJOSTTCDFGH-UHFFFAOYSA-N1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,5-dimethyl-4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione #
Database identifiers
- CAS
66491-67-6- PubChem CID
- 564657
- DTXSID
DTXSID50340428
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
- 303
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Related reactions
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Compound notes
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