5,6-Dihydroxy-1-benzofuran-3(2H)-one
Basic information
- CAS
14771-00-7- Standard SMILES
O=C1COc2cc(O)c(O)cc21- InChIKey
RDRBEUXIJCFHCZ-UHFFFAOYSA-N- Molecular formula
- C8H6O4
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.02660867
Names & identifiers
- Preferred name
- 5,6-Dihydroxy-1-benzofuran-3(2H)-one
- IUPAC
- 5,6-dihydroxy-1-benzofuran-3-one
- English name
- 5,6-Dihydroxybenzofuran-3-one
- Molecular formula
- C8H6O4
- Molecular weight
- 166.13
Names & synonyms
14771-00-75,6-Dihydroxy-1-benzofuran-3(2H)-oneDTXSID80310371RefChem:298659DTXCID002614975,6-DIHYDROXYBENZOFURAN-3-ONE5,6-dihydroxy-1-benzofuran-3-oneNSC2261953(2H)-Benzofuranone, 5,6-dihydroxy-coumaran-5,6-diol-3-oneRDRBEUXIJCFHCZ-UHFFFAOYSA-NNSC-226195
Show more names
5,6-Dihydroxy-1-benzofuran-3(2H)-one #Benzo[b]tetrahydrofuran-3-one, 5,6-dihydroxy-
Database identifiers
- CAS
14771-00-7- PubChem CID
- 313095
- DTXSID
DTXSID80310371
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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