Methyl 2-(methoxymethylidene)-3-oxopentanoate
Basic information
- CAS
125500-76-7- Standard SMILES
CCC(=O)C(=COC)C(=O)OC- InChIKey
AUNZMVTVNQSEAD-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Methyl 2-(methoxymethylidene)-3-oxopentanoate
- IUPAC
- methyl 2-(methoxymethylidene)-3-oxopentanoate
Names & synonyms
125500-76-7Methyl 2-(methoxymethylidene)-3-oxopentanoateSCHEMBL7171266DTXSID90705774AUNZMVTVNQSEAD-UHFFFAOYSA-Nmethyl 2-propanoyl-3-methoxyacrylate
Database identifiers
- CAS
125500-76-7- PubChem CID
- 53662896
- DTXSID
DTXSID90705774
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Related reactions
6 records
Compound notes
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