2-Oxobutanal 1-oxime
Basic information
- CAS
34490-96-5- Standard SMILES
CCC(=O)C=NO- InChIKey
NDQMJZCPBOBKQB-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767847
Overview
See also: Butanal, 2-oxo-, 1-oxime (annotation moved to).
Names & identifiers
- Preferred name
- 2-Oxobutanal 1-oxime
- IUPAC
- 1-hydroxyiminobutan-2-one
Names & synonyms
2-Oxobutanal 1-oximeDTXSID501315162RefChem:477775DTXCID40148821934490-96-52-oxo-butyraldehyde oximeoximinobutanoneButanal, 2-oxo-, 1-oxime, (1E)-1-(hydroxyimino)butan-2-one2-Butanone, 1-hydroxyimino-SCHEMBL3630142NDQMJZCPBOBKQB-UHFFFAOYSA-N
Show more names
90656-59-0
Database identifiers
- CAS
34490-96-5- PubChem CID
- 6399233
- DTXSID
DTXSID501315162
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 87.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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