3a-Methyl-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione
Basic information
- CAS
87069-98-5- Standard SMILES
CC12C(=O)OC(=O)C1C1C=CC2CC1- InChIKey
QKZZIJHSQURDMO-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 3a-Methyl-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione
- IUPAC
- 2-methyl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Names & synonyms
87069-98-5NSC428443a-methyl-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dioneSCHEMBL12359375DTXSID401007312NSC-42844NSC169636NSC-169636
Database identifiers
- CAS
87069-98-5- PubChem CID
- 238489
- DTXSID
DTXSID401007312
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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