2,4,5-Phenanthrenetriol
Basic information
- CAS
10023-43-5- Standard SMILES
Oc1cc(O)c2c(ccc3cccc(O)c32)c1- InChIKey
FTTDKLMEWYEQRQ-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Names & identifiers
- Preferred name
- 2,4,5-Phenanthrenetriol
- IUPAC
- phenanthrene-2,4,5-triol
Names & synonyms
2,4,5-phenanthrenetriolphenanthrene-2,4,5-triolDTXSID70348784RefChem:245535DTXCID0029985610023-43-5InChI=1/C14H10O3/c15-10-6-9-5-4-8-2-1-3-11(16)13(8)14(9)12(17)7-10/h1-7,15-17
Database identifiers
- CAS
10023-43-5- PubChem CID
- 640651
- DTXSID
DTXSID70348784
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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