Basic information
- CAS
918874-34-7- Standard SMILES
COc1ccccc1-c1cc2c(nn1)CCCCCC2- InChIKey
SKXBFBSECONGDT-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756326
Names & identifiers
- Preferred name
- 3-(2-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazine
- IUPAC
- 3-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazine
Names & synonyms
918874-34-73-(2-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazineSCHEMBL1382077DTXSID90581656SKXBFBSECONGDT-UHFFFAOYSA-N3-(2-Methoxy-phenyl)-5,6,7,8,9,10-hexahydro-cycloocta[c]pyridazine
Database identifiers
- CAS
918874-34-7- PubChem CID
- 16063702
- DTXSID
DTXSID90581656
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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