(5,7,8-Triacetyloxyphenanthren-2-yl) acetate
Basic information
- CAS
10117-19-8- Standard SMILES
CC(=O)Oc1ccc2c(ccc3c(OC(C)=O)c(OC(C)=O)cc(OC(C)=O)c32)c1- InChIKey
CMSJCDYFMYXGSR-UHFFFAOYSA-N- Molecular formula
- C22H18O8
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.10016753
Names & identifiers
- Preferred name
- (5,7,8-Triacetyloxyphenanthren-2-yl) acetate
- IUPAC
- (5,7,8-triacetyloxyphenanthren-2-yl) acetate
Names & synonyms
10117-19-8(5,7,8-triacetyloxyphenanthren-2-yl) acetateNSC172569DTXSID60305907NSC-172569Phenanthrene-1,2,4,7-tetrayl tetraacetate
Database identifiers
- CAS
10117-19-8- PubChem CID
- 299496
- DTXSID
DTXSID60305907
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 689
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Compound notes
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