Basic information
- CAS
62409-40-9- Standard SMILES
CCOC(=O)c1c(C)oc(O)c1C(C)=O- InChIKey
AHIIYYOECDXXPF-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- 3-Furancarboxylic acid, 4,5-dihydro-4-(1-hydroxyethylidene)-2-methyl-5-oxo-, ethyl ester
- IUPAC
- ethyl 4-acetyl-5-hydroxy-2-methylfuran-3-carboxylate
- English name
- 4,5-Dihydro-4-(1-hydroxyethylidene)-2-methyl-5-oxo-3-furancarboxylic acid ethyl ester
- Molecular formula
- C10H12O5
- Molecular weight
- 212.2
Names & synonyms
62409-40-9ethyl 4-acetyl-5-hydroxy-2-methylfuran-3-carboxylate3-Furancarboxylic acid, 4,5-dihydro-4-(1-hydroxyethylidene)-2-methyl-5-oxo-, ethyl esterDTXSID3069566SCHEMBL11196335AHIIYYOECDXXPF-UHFFFAOYSA-N4,5-Dihydro-4-(1-hydroxyethylidene)-2-methyl-5-oxo-3-furancarboxylic acid ethyl esterDB-315981Ethyl (4Z)-4-(1-hydroxyethylidene)-2-methyl-5-oxo-4,5-dihydrofuran-3-carboxylate
Database identifiers
- CAS
62409-40-9- PubChem CID
- 112489
- DTXSID
DTXSID3069566- Nikkaji
- J429.452A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Furancarboxylic acid, 4,5-dihydro-4-(1-hydroxyethylidene)-2-methyl-5-oxo-, ethyl ester (62409-40-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Furancarboxylic acid, 4,5-dihydro-4-(1-hydroxyethylidene)-2-methyl-5-oxo-, ethyl ester: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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