Butanoic acid, 2-(hydroxyimino)-
Basic information
- CAS
609-30-3- Standard SMILES
CCC(=NO)C(=O)O- InChIKey
ALSXSMFPNNAYPI-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Names & identifiers
- Preferred name
- Butanoic acid, 2-(hydroxyimino)-
- IUPAC
- 2-hydroxyiminobutanoic acid
- English name
- 2-Hydroxyiminobutyric acid
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
609-30-3Butanoic acid, 2-(hydroxyimino)-DTXSID30425681RefChem:330712DTXCID003765152-hydroxyiminobutanoic AcidSCHEMBL31616052-(HYDROXYIMINO)BUTANOIC ACIDα-Isonitrosobutyric acid2-Hydroxyiminobutyric acid
Database identifiers
- CAS
609-30-3- PubChem CID
- 6844451
- DTXSID
DTXSID30425681
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 154 °C · 154 °C (decomp)
- Boiling point
- 289.5 · 289.5±23.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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