2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester
Basic information
- CAS
61434-02-4- Standard SMILES
C=C(C#N)C(=O)OCC(=O)OCC- InChIKey
RODKVBQIDLYTSW-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester
- IUPAC
- (2-ethoxy-2-oxoethyl) 2-cyanoprop-2-enoate
Names & synonyms
61434-02-4SCHEMBL48269142-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl esterDTXSID204310342-ETHOXY-2-OXOETHYL 2-CYANOPROP-2-ENOATE
Database identifiers
- CAS
61434-02-4- PubChem CID
- 9812945
- DTXSID
DTXSID20431034
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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