8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol
Basic information
- CAS
71007-79-9- Standard SMILES
COc1cc2c(cc1O)-c1oncc1CCC2- InChIKey
UFYXVFXZURHFLB-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol
- IUPAC
- 12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
Names & synonyms
71007-79-95VLE3L0GOR8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-olUNII-5VLE3L0GORNSC 271270NSC-2712708-Methoxy-5,6-dihydro-4H-benzo[3,4]cyclohepta[1,2-d]isoxazol-9-olDTXSID202212354H-BENZO(3,4)CYCLOHEPT(1,2-D)ISOXAZOL-9-OL, 5,6-DIHYDRO-8-METHOXY-RefChem:107234DTXCID20143726NSC271270
Show more names
8-methoxy-5,6-dihydro-4H-benzo[[?]:[?]]cyclohepta[[?]]isoxazol-9-ol8-Methoxy-5,6-dihydro-4H-benzo[3,4]cyclohepta[1,2-d][1,2]oxazol-9-ol
Database identifiers
- CAS
71007-79-9- PubChem CID
- 321300
- DTXSID
DTXSID20221235- UNII
- 5VLE3L0GOR
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- 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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