Basic information
- CAS
41044-60-4- Standard SMILES
c1c2c([o+]c3c1CCCC3)CCCC2- InChIKey
FNUXTVXFXFLOOE-UHFFFAOYSA-N- Molecular formula
- C13H17O+
- Average molar mass
- 189.27 g/mol
- Monoisotopic mass
- 189.12794016
Names & identifiers
- Preferred name
- 1,2,3,4,5,6,7,8-Octahydroxanthylium
- IUPAC
- 1,2,3,4,5,6,7,8-octahydroxanthen-10-ium
Names & synonyms
1,2,3,4,5,6,7,8-Octahydroxanthylium41044-60-4Xanthylium, 1,2,3,4,5,6,7,8-octahydro-1,2,3,4,5,6,7,8-octahydroxanthen-10-iumDTXSID80194017
Database identifiers
- CAS
41044-60-4- PubChem CID
- 148404
- DTXSID
DTXSID80194017
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…