7,8-Dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
Basic information
- CAS
57595-83-2- Standard SMILES
COc1cc2c(cc1OC)-c1oncc1CC2- InChIKey
XLJYSINRWKQDGR-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 7,8-Dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
- IUPAC
- 7,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
Names & synonyms
57595-83-27,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazoleNSC251201CHEMBL3273900DTXSID60312212NSC-2512014,8-DIMETHOXYNAPHTH[2,1-D]ISOXAZOLE7,8-Dimethoxy-4,5-dihydronaphtho[2,1-d][1,2]oxazole
Database identifiers
- CAS
57595-83-2- PubChem CID
- 317779
- DTXSID
DTXSID60312212- ChEMBL
CHEMBL3273900
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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