(4Z)-4-hydroxyiminopentanoic acid
Basic information
- CAS
6945-36-4- Standard SMILES
C/C(CCC(=O)O)=N/O- InChIKey
AESJFNDOKWHJAH-XQRVVYSFSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Names & identifiers
- Preferred name
- (4Z)-4-hydroxyiminopentanoic acid
- IUPAC
- (4Z)-4-hydroxyiminopentanoic acid
- English name
- 4-Hydroxyimino-pentanoic acid
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
NSC-16661SCHEMBL23829487NSC16661RARECHEM AL FB 0060LEVULINIC ACID OXIME4-OXIMINOVALERIC ACID4-(hydroxyimino)valeric acid4-Hydroxyimino-pentanoic acidPentanoic acid, 4-(hydroxyimino)-
Database identifiers
- CAS
6945-36-4- PubChem CID
- 5483495
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 323.5 · 323.5±25.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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