Basic information
- Standard SMILES
CC=C(C(C)=O)C(=O)OCC- InChIKey
IYFLZFKSDCNELJ-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- Ethyl 2-acetylbut-2-enoate
- IUPAC
- ethyl 2-acetylbut-2-enoate
Names & synonyms
ETHYL 2-ACETYLBUT-2-ENOATE15301-37-8Ethyl 2-Ethylideneacetoacetateethyl 2-acetyl-2-butenoate3-carbethoxy-3-penten-2-oneSCHEMBL9278827IYFLZFKSDCNELJ-UHFFFAOYSA-NDB-370206
Database identifiers
- PubChem CID
- 53941670
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
Related reactions
1 records
Compound notes
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