9,10-Phenanthrenediol, dibenzoate
Basic information
- CAS
71310-31-1- Standard SMILES
O=C(Oc1c(OC(=O)c2ccccc2)c2ccccc2c2ccccc12)c1ccccc1- InChIKey
HFMSVFXDRXRZHF-UHFFFAOYSA-N- Molecular formula
- C28H18O4
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.12050905
Names & identifiers
- Preferred name
- 9,10-Phenanthrenediol, dibenzoate
- IUPAC
- (10-benzoyloxyphenanthren-9-yl) benzoate
Names & synonyms
9,10-Phenanthrenediol, dibenzoate71310-31-1EJ4S4EEJ3BDibenzoate-9,10-phenanthrenediolUNII-EJ4S4EEJ3BNSC408496NSC 408496NSC-408496DTXSID30221468Phenanthrene-9,10-diyl dibenzoate(10-benzoyloxy-9-phenanthryl) benzoateDS-006105
Show more names
9,10-PHENANTHRENEDIOL, 9,10-DIBENZOATE
Database identifiers
- CAS
71310-31-1- PubChem CID
- 348963
- DTXSID
DTXSID30221468- UNII
- EJ4S4EEJ3B
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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