Basic information
- CAS
61445-49-6- Standard SMILES
O=C(c1ccc(O)c(O)c1)c1ccc(O)c(O)c1- InChIKey
XZXMWAHILBWKBI-UHFFFAOYSA-N- Molecular formula
- C13H10O5
- Average molar mass
- 246.21 g/mol
- Monoisotopic mass
- 246.05282342
Names & identifiers
- Preferred name
- Bis(3,4-dihydroxyphenyl)methanone
- IUPAC
- bis(3,4-dihydroxyphenyl)methanone
Names & synonyms
bis(3,4-dihydroxyphenyl)methanoneMethanone, bis(3,4-dihydroxyphenyl)-RefChem:120106XZXMWAHILBWKBI-UHFFFAOYSA-NCHEMBL126942061445-49-6SCHEMBL1758192DTXSID50332484BDBM503296943,3',4,4'-Tetrahydroxybenzophenone
Database identifiers
- CAS
61445-49-6- PubChem CID
- 458191
- DTXSID
DTXSID50332484- ChEMBL
CHEMBL1269420
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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