Basic information
- CAS
58371-22-5- Standard SMILES
C=C(CCC(C)=O)C(=O)OC- InChIKey
CZMAZUJMOQFCBB-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- Methyl 2-methylidene-5-oxohexanoate
- IUPAC
- methyl 2-methylidene-5-oxohexanoate
Names & synonyms
methyl 2-methylidene-5-oxohexanoate58371-22-5DTXSID50502160Hexanoic acid, 2-methylene-5-oxo-, methyl esterRefChem:354410DTXCID10452970CZMAZUJMOQFCBB-UHFFFAOYSA-Nmethyl 2-(3-oxobutyl)acrylateSCHEMBL6130519
Database identifiers
- CAS
58371-22-5- PubChem CID
- 12548522
- DTXSID
DTXSID50502160- Nikkaji
- J2.985.348G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…