Butanal, 2-oxo-, 1-oxime
Basic information
- CAS
34490-96-5- Standard SMILES
CCC(=O)/C=N/O- InChIKey
NDQMJZCPBOBKQB-HWKANZROSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767847
Names & identifiers
- Preferred name
- Butanal, 2-oxo-, 1-oxime
- IUPAC
- (1E)-1-hydroxyiminobutan-2-one
Names & synonyms
BRN 1743919BUTANAL, 2-OXO-, 1-OXIME4-01-00-03639 (Beilstein Handbook Reference)RefChem:570578686-268-534490-96-5Butanal, 2-oxo-, 1-oxime, (1E)-IsonitrosomethylacetonSCHEMBL363014190656-59-0
Database identifiers
- CAS
34490-96-5- PubChem CID
- 9570538
- EC Number
- 686-268-5
- Nikkaji
- J1.614.788E、J917.119C
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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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