Completing data — usually done within a minute
Basic information
- CAS
203186-56-5- Standard SMILES
COC(=O)C(=CN(C)C)C(C)=O- InChIKey
RPFZLULJSPXVDO-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- Methyl 2-((dimethylamino)methylene)-3-oxobutanoate
- IUPAC
- methyl 2-(dimethylaminomethylidene)-3-oxobutanoate
Names & synonyms
Methyl 2-((dimethylamino)methylene)-3-oxobutanoate51559-52-5SCHEMBL841855RPFZLULJSPXVDO-UHFFFAOYSA-NAKOS030228174DB-308185DB-3198622-acetyl-3-dimethylaminoacrylic acid methyl ester2-dimethylaminomethylene-3-oxo-butyric acid methyl ester
Database identifiers
- CAS
203186-56-5、51559-52-5- PubChem CID
- 53395488
- DTXSID
DTXSID80694163- EC Number
- 610-689-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Related reactions
2 records
Compound notes
Loading…