Basic information
- CAS
80433-90-5- Standard SMILES
CC(=O)O[C@@H]1c2ccc3c(ccc4ccccc43)c2CC[C@H]1OC(C)=O- InChIKey
UWMIFMGEZWMYAJ-FGZHOGPDSA-N- Molecular formula
- C22H20O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13615911
Names & identifiers
- Preferred name
- 1,2-Chrysenediol, 1,2,3,4-tetrahydro-, 1,2-diacetate, (1R,2R)-
- IUPAC
- [(1R,2R)-1-acetyloxy-1,2,3,4-tetrahydrochrysen-2-yl] acetate
Names & synonyms
80433-90-5DTXSID4010012331,2-Chrysenediol, 1,2,3,4-tetrahydro-, 1,2-diacetate, (1R,2R)-1,2,3,4-Tetrahydrochrysene-1,2-diyl diacetate(1R,2R)-1,2,3,4-Tetrahydrochrysene-1,2-diyl diacetate
Database identifiers
- CAS
80433-90-5- PubChem CID
- 190050
- DTXSID
DTXSID401001233
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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