Basic information
- CAS
71648-24-3- Standard SMILES
CCOC=C(C#N)C(=O)O- InChIKey
AVAQZFUVMGMHSC-UHFFFAOYSA-N- Molecular formula
- C6H7NO3
- Average molar mass
- 141.12 g/mol
- Monoisotopic mass
- 141.04259309
Overview
See also: 2-Cyano-3-ethoxyacrylic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-Cyano-3-ethoxy-2-propenoic acid
- IUPAC
- 2-cyano-3-ethoxyprop-2-enoic acid
Names & synonyms
DTXSID8013000912-cyano-3-ethoxy-2-propenoic acidRefChem:470627DTXCID9017302172-cyano-3-ethoxyprop-2-enoic acid71648-24-32-Propenoic acid,2-cyano-3-ethoxy-114951-19-8SCHEMBL595419WCA64824MFCD00021687AKOS026726367
Show more names
SY144467E84885F852325
Database identifiers
- CAS
71648-24-3- PubChem CID
- 51371
- DTXSID
DTXSID801300091
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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