4-(Hydroxyimino)pentanoic acid
Basic information
- CAS
6945-36-4- Standard SMILES
CC(CCC(=O)O)=NO- InChIKey
AESJFNDOKWHJAH-UHFFFAOYSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Names & identifiers
- Preferred name
- 4-(Hydroxyimino)pentanoic acid
- IUPAC
- 4-hydroxyiminopentanoic acid
- English name
- 4-Hydroxyimino-pentanoic acid
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
6945-36-4RefChem:2890824-(Hydroxyimino)pentanoic acid4-hydroxyiminopentanoic acid4-OXIMINOVALERIC ACIDSCHEMBL1408433DTXSID601306843NS00044391RARECHEM AL FB 0060LEVULINIC ACID OXIME4-(hydroxyimino)valeric acid4-Hydroxyimino-pentanoic acid
Show more names
Pentanoic acid, 4-(hydroxyimino)-
Database identifiers
- CAS
6945-36-4- PubChem CID
- 81373
- DTXSID
DTXSID601306843- EC Number
- 230-103-8
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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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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