Basic information
- CAS
71321-25-0- Standard SMILES
Cc1cccc(C2(O)C(=O)c3ccccc3C2=O)c1O- InChIKey
QFTNLJHWQCUPEX-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-3-methylphenyl)-
- IUPAC
- 2-hydroxy-2-(2-hydroxy-3-methylphenyl)indene-1,3-dione
Names & synonyms
BRN 22897282-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dioneDTXSID109916521H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-3-methylphenyl)-RefChem:238533DTXCID10141873271321-25-0Maybridge1_007440Oprea1_058134HMS562K04AKOS001016872CCG-246172
Show more names
Z56791569
Database identifiers
- CAS
71321-25-0- PubChem CID
- 710697
- DTXSID
DTXSID10991652
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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