Basic information
- CAS
72990-30-8- Standard SMILES
C=CCO/N=C(/C)c1ccncc1.O=C(O)/C=C/C(=O)O- InChIKey
YBJIAOAMOAWLAW-JSJKVJQDSA-N- Molecular formula
- C14H16N2O5
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.10592162
Names & identifiers
- Preferred name
- Ethanone, 1-(4-pyridinyl)-, O-2-propenyloxime, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;(Z)-N-prop-2-enoxy-1-pyridin-4-ylethanimine
Names & synonyms
Ethanone, 1-(4-pyridinyl)-, O-2-propenyloxime, (Z)-2-butenedioate (1:1)72990-30-8RefChem:10845501-(4-Pyridinyl)ethanone O-allyloxime fumarate
Database identifiers
- CAS
72990-30-8- PubChem CID
- 6509986
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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