Dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylate
Basic information
- CAS
2004-74-2- Standard SMILES
COC(=O)c1oc(C(=O)OC)c(O)c1O- InChIKey
RJLISWCWSXGEMK-UHFFFAOYSA-N- Molecular formula
- C8H8O7
- Average molar mass
- 216.14 g/mol
- Monoisotopic mass
- 216.02700259
Overview
Dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Names & identifiers
- Preferred name
- Dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylate
- IUPAC
- dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylate
- English name
- (2E,5E)-2,5-bis(hydroxy-methoxy-methylidene)oxolane-3,4-dione
- Molecular formula
- C8H8O7
- Molecular weight
- 216.14
Names & synonyms
2004-74-2Dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylatedimethyl 3,4-dihydroxy-2,5-furandicarboxylate2,5-Furandicarboxylic acid, 3,4-dihydroxy-, 2,5-dimethyl esterNSC179673SCHEMBL11453281DTXSID80306759CHEBI:189133AKOS024322744NSC 179673NSC-179673dimethyl 3,4-dihydroxyuran-2,5-dicarboxylate
Show more names
Furan 2,5 Di Carboxylic Methyl Ester3,4-DIHYDROXY-FURAN-2,5-DICARBOXYLIC ACID DIMETHYL ESTER(2E,5E)-2,5-bis(hydroxy-methoxy-methylidene)oxolane-3,4-dione(2E,5E)-2,5-bis((hydroxymethoxy)methylene)furan-3,4(2H,5H)-dione
AC-776/40848584
Database identifiers
- CAS
2004-74-2- PubChem CID
- 301642
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Boiling point
- 374.1 · 374.1±37.0 °C(Predicted)
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- pka
- 7.88 · 7.88±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2932190090 · 2932190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Additional notes
DefinitionChEBI: Dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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