4,5-Phenanthrenediol
Basic information
- CAS
10127-55-6- Standard SMILES
Oc1cccc2ccc3cccc(O)c3c12- InChIKey
TWTDMNQJLRKNLJ-UHFFFAOYSA-N- Molecular formula
- C14H10O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.06807956
Names & identifiers
- Preferred name
- 4,5-Phenanthrenediol
- IUPAC
- phenanthrene-4,5-diol
Names & synonyms
4,5-Phenanthrenediol10127-55-6DTXSID10305619RefChem:285603DTXCID20256749phenanthrene-4,5-diolNSC1712684,5-dihydroxyphenanthreneSCHEMBL7126508SCHEMBL41944327NSC-171268
Database identifiers
- CAS
10127-55-6- PubChem CID
- 298903
- DTXSID
DTXSID10305619- Nikkaji
- J2.302.453E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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