Basic information
- CAS
759-51-3- Standard SMILES
CCOC(=O)C(C#N)=C(C)CC- InChIKey
WBPLDHMXQALQAT-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-methyl-2-pentenoate
- IUPAC
- ethyl 2-cyano-3-methylpent-2-enoate
- English name
- ethyl 2-cyano-3-methylpent-2-ene-1-oate
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
ETHYL 2-CYANO-3-METHYL-2-PENTENOATE53246-72-32-Pentenoic acid, 2-cyano-3-methyl-, ethyl ester(E/Z)-2-Cyano-3-methyl-2-pentenoicAcidEthylEster-d3SCHEMBL6052436DTXSID901032772DB-264923NS00042654Ai3-04908NSC 67978Einecs 212-069-6Ethyl 2-cyano-3-methylpent-2-enoate
Show more names
ethyl 2-cyano-3-methylpent-2-ene-1-oate(E/Z)-Ethyl 2-Cyano-3-Methyl-2-pentenoate2-Cyano-3-methyl-2-pentenoic acid ethyl ester2-CYANO-3-METHYL-PENT-2-ENOIC ACID ETHYL ESTER(E)-2-cyano-3-methyl-2-pentenoic acid ethyl ester
Database identifiers
- CAS
759-51-3- PubChem CID
- 98010
- DTXSID
DTXSID901032772
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 27 °C · 27 °C
- Boiling point
- 116 · 116-118 °C(Press: 11 Torr)
- Density
- 1.0001 g/cm3 · 1.0001 g/cm3(Temp: 25 °C)
- solubility
- Dichloromethane, Ethyl Acetate, Methanol
- form
- Oil
- color
- Yellow
Chemistry & industry
Applications
UsesIntermediate in the preparation of Ethosuximide.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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