Basic information
- CAS
82874-96-2- Standard SMILES
CCOC(=O)C(CC(C)=O)=NOC- InChIKey
HDMJBDNQNKWAHU-UHFFFAOYSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Names & identifiers
- Preferred name
- Ethyl 2-(methoxyimino)-4-oxopentanoate
- IUPAC
- ethyl 2-methoxyimino-4-oxopentanoate
- English name
- ETHYL 2-(METHOXYIMINO)-4-OXOPENTANOATE
- Molecular formula
- C8H13NO4
- Molecular weight
- 187.19
Names & synonyms
82874-96-2ETHYL 2-(METHOXYIMINO)-4-OXOPENTANOATEethyl 2-methoxyimino-4-oxopentanoatePentanoicacid, 2-(methoxyimino)-4-oxo-, ethyl esterSCHEMBL950647DTXSID80343341HDMJBDNQNKWAHU-UHFFFAOYSA-NAB44713DB-141963ethyl 2-(n-(methoxy)imino)-4-oxopentanoate2-Methoxyimino-4-oxo-pentanoic acid ethyl ester
Database identifiers
- CAS
82874-96-2- PubChem CID
- 589173
- DTXSID
DTXSID80343341
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 244.569 · 244.569±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.095 · 1.095±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers5 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
14 records
Compound notes
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