Basic information
- CAS
54824-11-2- Standard SMILES
CC1C=CC(C)(C)C2C(=O)OC(=O)C12- InChIKey
YSSBNDQFAJTNAL-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-
- IUPAC
- 4,7,7-trimethyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione
- English name
- 3a,4,7,7a-Tetrahydro-4,4,7-trimethyl-1,3-isobenzofurandione
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
SCHEMBL10303463YSSBNDQFAJTNAL-UHFFFAOYSA-N1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-3a,4,7,7a-Tetrahydro-4,4,7-trimethyl-1,3-isobenzofurandioneDB-3044384,4,7-Trimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione #54824-11-2
Database identifiers
- CAS
54824-11-2- PubChem CID
- 556593
- Nikkaji
- J104.008A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…