Basic information
- CAS
119613-69-3- Standard SMILES
CCCc1cc2ccccc2c2ccc3c(c12)C1OC1C(O)C3O- InChIKey
SSNDLPNRDZIPAB-UHFFFAOYSA-N- Molecular formula
- C21H20O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.1412445
Names & identifiers
- Preferred name
- Ccris 2843
- IUPAC
- 19-propyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Names & synonyms
119613-69-3anti-1,2,3,4-Tetrahydro-5-propylchrysene-1,2-diol-3,4-epoxideCCRIS 2843DTXSID7092305510-Propyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
Database identifiers
- CAS
119613-69-3- PubChem CID
- 147448
- DTXSID
DTXSID70923055
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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