8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione
Basic information
- CAS
63525-26-8- Standard SMILES
COc1ccc2c(c1)C1(C)CC(OC1=O)C2=O- InChIKey
CGVUMUYBDVNKHY-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione
- IUPAC
- 4-methoxy-1-methyl-10-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8,11-dione
Names & synonyms
63525-26-8NSC254160DTXSID303304238-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dioneNSC-254160
Database identifiers
- CAS
63525-26-8- PubChem CID
- 429374
- DTXSID
DTXSID30330423
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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