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Basic information
- Standard SMILES
O=C1OCC(Cc2ccc(O)c(O)c2)C1Cc1ccc(O)c(O)c1- InChIKey
NXJDDTDNGCHIGR-UHFFFAOYSA-N- Molecular formula
- C18H18O6
- Average molar mass
- 330.336 g/mol
- Monoisotopic mass
- 330.1103383
Names & identifiers
- Preferred name
- 3,4-Bis[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
- IUPAC
- 3,4-Bis[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
- English name
- 2,3-bis(3,4-dihydroxybenzyl)butyrolactone
- Molecular formula
- C18H18O6
- Molecular weight
- 330.33
Names & synonyms
Lindane Impurity 5 (Dacthal)2,3-bis(3,4-dihydroxybenzyl)butyrolactone2(3H)-Furanone, 3,4-bis[(3,4-dihydroxyphenyl)methyl]dihydro-, (3R,4R)-rel-
Database identifiers
- CAS
148022-00-8- PubChem CID
- 500189
- DTXSID
DTXSID60933284- Nikkaji
- J2.155.461H
Properties
Physicochemical properties
- Boiling point
- 655.932 · 655.932±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.766 · 9.766±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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