1,3-Indandione, 2-(2,3-dihydroxy-4-methoxyphenyl)-2-hydroxy-
Basic information
- CAS
71917-50-5- Standard SMILES
COc1ccc(C2(O)C(=O)c3ccccc3C2=O)c(O)c1O- InChIKey
WYXFLSFKQMNQKI-UHFFFAOYSA-N- Molecular formula
- C16H12O6
- Average molar mass
- 300.26 g/mol
- Monoisotopic mass
- 300.0633881
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(2,3-dihydroxy-4-methoxyphenyl)-2-hydroxy-
- IUPAC
- 2-(2,3-dihydroxy-4-methoxyphenyl)-2-hydroxyindene-1,3-dione
Names & synonyms
BRN 55988061,3-Indandione, 2-(2,3-dihydroxy-4-methoxyphenyl)-2-hydroxy-71917-50-52-(2,3-Dihydroxy-4-methoxyphenyl)-2-hydroxy-1,3-indandioneDTXSID30222177RefChem:219260DTXCID301446682-(2,3-Dihydroxy-4-methoxyphenyl)-2-hydroxy-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
71917-50-5- PubChem CID
- 3055005
- DTXSID
DTXSID30222177
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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