Basic information
- CAS
66280-06-6- Standard SMILES
CCC(O)CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2- InChIKey
XYDCBAHQFXKSBL-UHFFFAOYSA-N- Molecular formula
- C21H24O5
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.16237386
Names & identifiers
- Preferred name
- 3''-Hydroxycannabinol-7-oic acid
- IUPAC
- 1-hydroxy-3-(3-hydroxypentyl)-6,6-dimethylbenzo[c]chromene-9-carboxylic acid
Names & synonyms
66280-06-63''-Hydroxycannabinol-7-oic acidDTXSID609848321-Hydroxy-3-(3-hydroxypentyl)-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carboxylic acid
Database identifiers
- CAS
66280-06-6- PubChem CID
- 181794
- DTXSID
DTXSID60984832
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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