Basic information
- CAS
27878-36-0- Standard SMILES
O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\O- InChIKey
RSAXUEMHVKBRSZ-YFHOEESVSA-N- Molecular formula
- C9H8N2O5
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.04332136
Names & identifiers
- Preferred name
- (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
- IUPAC
- (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
- English name
- 2-(hydroxyimino)-3-(o-nitrophenyl)propionic acid
- Molecular formula
- C9H8N2O5
- Molecular weight
- 224.17
Names & synonyms
27878-36-0(o-Nitrophenyl)pyruvic Acid 2-Oxime(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid2-(Hydroxyimino)-3-(o-nitrophenyl)propionic acid(2E)-2-Hydroxyimino-3-(2-nitrophenyl)propanoic acid2-(hydroxyimino)-3-(2-nitrophenyl)propanoic acidRSAXUEMHVKBRSZ-YFHOEESVSA-NAKOS024385934ST51036765α-(HydroxyiMino)-2-nitro-benzenepropanoic Acid2-Hydroxyimino-3-(2-nitrophenyl)propionic acidBenzenepropanoic acid, α-(hydroxyimino)-2-nitro-
Database identifiers
- CAS
27878-36-0- PubChem CID
- 6400570
- EC Number
- 248-709-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 161 °C · 161 °C (decomp)
- Boiling point
- 480 · 480.0±47.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.10(Predicted)
- form
- Solid
- color
- Light Brown
Chemistry & industry
Applications
Uses(o-Nitrophenyl)pyruvic Acid 2-Oxime (cas# 27878-36-0) is a compound useful in organic synthesis.
Suppliers5 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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