Basic information
- CAS
826-14-2- Standard SMILES
COC1C2C=CC=CC=CC21- InChIKey
TYQBOMXGBFQRGR-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- Bicyclo[6.1.0]nona-2,4,6-triene, 9-methoxy-
- IUPAC
- 9-methoxybicyclo[6.1.0]nona-2,4,6-triene
Names & synonyms
Bicyclo[6.1.0]nona-2,4,6-triene, 9-methoxy-826-14-2DTXSID90341757
Database identifiers
- CAS
826-14-2- PubChem CID
- 575533
- DTXSID
DTXSID90341757
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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