b-Oxo-2-furanpropanoic acid tert-butyl ester
Basic information
- CAS
170115-18-1- Standard SMILES
CC(C)(C)OC(=O)CC(=O)c1ccco1- InChIKey
LWVMUVMFCBRFHE-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
Names & identifiers
- Preferred name
- b-Oxo-2-furanpropanoic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(furan-2-yl)-3-oxopropanoate
- English name
- beta-Oxo-2-furanpropanoic acid 1,1-dimethylethyl ester
- Molecular formula
- C11H14O4
- Molecular weight
- 210.228
Names & synonyms
170115-18-1b-Oxo-2-furanpropanoic acid tert-butyl esterMFCD11974502Tert-butyl 3-(2-furyl)-3-oxo-propanoatetert-butyl 3-(furan-2-yl)-3-oxopropanoateSCHEMBL5160673LWVMUVMFCBRFHE-UHFFFAOYSA-Nb-Oxo-2-furanpropanoicacidtert-butylestertert-butyl 3-(2-furyl)-3-oxopropionate1,1-Dimethylethyl β-oxo-2-furanpropanoatebeta-Oxo-2-furanpropanoic acid 1,1-dimethylethyl ester2-Furanpropanoic acid, β-oxo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
170115-18-1
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 275.7 · 275.7±15.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.46(Predicted)
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Compound notes
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