3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,5-diol
Basic information
- CAS
71007-51-7- Standard SMILES
COc1cc2c(cc1O)CCCCC2O- InChIKey
JOHVKKWWCVUTAR-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,5-diol
- IUPAC
- 3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,5-diol
Names & synonyms
71007-51-73-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,5-diolNSC244584DTXSID60311649NSC-244584
Database identifiers
- CAS
71007-51-7- PubChem CID
- 316486
- DTXSID
DTXSID60311649
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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