Ethyl 2-acetyl-3-hydroxybut-2-enoate
Basic information
- CAS
1830-94-0- Standard SMILES
CCOC(=O)C(C(C)=O)=C(C)O- InChIKey
XTKVCFFCPAEWEC-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-3-hydroxybut-2-enoate
- IUPAC
- ethyl 2-acetyl-3-hydroxybut-2-enoate
- English name
- Ethyl 2-Acetyl-3-hydroxy-2-butenoate
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
1830-94-0ETHYL 2-ACETYL-3-HYDROXY-2-BUTENOATEMFCD16495873DTXSID60715840ethyl 2-acetyl-3-hydroxy-but-2-enoate(Z)-ethyl 2-acetyl-3-hydroxybut-2-enoateDB-065425ETHYL 2-ACETYL-3-HYDROXYBUT-2-ENOATEEthyl (Z)-2-acetyl-3-hydroxybut-2-enoate2-Hydroxy-3-ethoxycarbonyl-4-oxo-penten-(2)2-acetyl-3-hydroxy-2-Butenoic acid ethyl ester2-Butenoic acid, 2-acetyl-3-hydroxy-, ethyl ester
Database identifiers
- CAS
1830-94-0- PubChem CID
- 54689502
- DTXSID
DTXSID60715840
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 256.6 · 256.6±40.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 5.03 · 5.03±0.22(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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