Basic information
- CAS
361460-19-7- Standard SMILES
CC[C@@]1(C(=O)O)OCCC1=O- InChIKey
STJFNNHBULOBFB-SSDOTTSWSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
Names & identifiers
- Preferred name
- (R)-2-Ethyl-3-oxotetrahydrofuran-2-carboxylic acid
- IUPAC
- (2R)-2-ethyl-3-oxooxolane-2-carboxylic acid
- English name
- 2-Furancarboxylicacid,2-ethyltetrahydro-3-oxo-,(2R)-(9CI)
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
(R)-2-Ethyl-3-oxotetrahydrofuran-2-carboxylic acid361460-19-72-Furancarboxylic acid, 2-ethyltetrahydro-3-oxo-, (2R)-2-Furancarboxylicacid,2-ethyltetrahydro-3-oxo-,(2R)-(9CI)
Database identifiers
- CAS
361460-19-7
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 320.6 · 320.6±42.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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