9,10-Phenanthrenediol, monobenzoate
Basic information
- CAS
39559-48-3- Standard SMILES
O=C(Oc1c(O)c2ccccc2c2ccccc12)c1ccccc1- InChIKey
FXVNMUNYTZMPQM-UHFFFAOYSA-N- Molecular formula
- C21H14O3
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.0942943
Names & identifiers
- Preferred name
- 9,10-Phenanthrenediol, monobenzoate
- IUPAC
- (10-hydroxyphenanthren-9-yl) benzoate
Names & synonyms
9,10-Phenanthrenediol, monobenzoate39559-48-3X1IEL6Z5UJUNII-X1IEL6Z5UJNSC 407911NSC-407911DTXSID201926739,10-PHENANTHRENEDIOL, 9-BENZOATERefChem:107532DTXCID60115164NSC407911(10-hydroxy-9-phenanthryl) benzoate
Show more names
10-HYDROXYPHENANTHREN-9-YL BENZOATE
Database identifiers
- CAS
39559-48-3- PubChem CID
- 348540
- DTXSID
DTXSID20192673- UNII
- X1IEL6Z5UJ
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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