Methyl 2-cyano-3-hydroxyacrylate
Basic information
- CAS
87698-54-2- Standard SMILES
COC(=O)/C(C#N)=C/O- InChIKey
ZENGSDRPRGWNLF-ONEGZZNKSA-N- Molecular formula
- C5H5NO3
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.02694302
Names & identifiers
- Preferred name
- Methyl 2-cyano-3-hydroxyacrylate
- IUPAC
- methyl (E)-2-cyano-3-hydroxyprop-2-enoate
Names & synonyms
Methyl 2-cyano-3-hydroxyacrylateEINECS 289-331-187698-54-2SCHEMBL10783575ZENGSDRPRGWNLF-ONEGZZNKSA-N
Database identifiers
- CAS
87698-54-2- PubChem CID
- 6366126
- EC Number
- 289-331-1
- Nikkaji
- J334.009K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 186
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Compound notes
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