3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
Basic information
- CAS
945-60-8- Standard SMILES
COc1cc2c(cc1O)CCCCC2- InChIKey
BBPRTUWUXSQQEI-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
- IUPAC
- 3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
Names & synonyms
945-60-83-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-olNSC244586DTXSID30311651NSC-244586
Database identifiers
- CAS
945-60-8- PubChem CID
- 316488
- DTXSID
DTXSID30311651- Nikkaji
- J390.190D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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