Methyl 2-(hydroxyimino)propanoate
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Basic information
- CAS
199434-50-9- Standard SMILES
COC(=O)/C(C)=N/O- InChIKey
GXUGQCNCLMAZCH-HWKANZROSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Names & identifiers
- Preferred name
- Methyl 2-(hydroxyimino)propanoate
- IUPAC
- methyl (2E)-2-hydroxyiminopropanoate
- English name
- Propanoic acid, 2-(hydroxyimino)-, methyl ester, (E)- (9CI)
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
199434-50-9METHYL 2-(HYDROXYIMINO)PROPANOATERefChem:813720994-903-5Propanoic acid, 2-(hydroxyimino)-, methyl ester, (E)- (9CI)methyl (2E)-2-hydroxyiminopropanoatePyruvic acid, methyl ester, oximeMethyl (2E)-2-(hydroxyimino)propanoatePropanoic acid, 2-(hydroxyimino)-, methyl esterSCHEMBL7759318GXUGQCNCLMAZCH-HWKANZROSA-NMethyl (2E)-2-(hydroxyimino)propanoate #
Show more names
Propanoic acid, 2-(hydroxyimino)-, methyl ester, (2E)-
Database identifiers
- CAS
199434-50-9- PubChem CID
- 9602163
- EC Number
- 994-903-5
- Nikkaji
- J132.817D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 192.6 · 192.6±23.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 8.97 · 8.97±0.10(Predicted)
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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