Basic information
- CAS
756900-95-5- Standard SMILES
O=C1CC(c2cccc(O)c2O)c2ccccc21- InChIKey
FWXYOVKOUZLVKC-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 3-(2,3-dihydroxyphenyl)-2,3-dihydro-
- IUPAC
- 3-(2,3-dihydroxyphenyl)-2,3-dihydroinden-1-one
Names & synonyms
756900-95-51H-Inden-1-one, 3-(2,3-dihydroxyphenyl)-2,3-dihydro-3-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-inden-1-oneDTXSID80463775
Database identifiers
- CAS
756900-95-5- PubChem CID
- 11368455
- DTXSID
DTXSID80463775- Nikkaji
- J2.137.860G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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