Ethyl 3-(o-nitrophenyl)pyruvate
Basic information
- CAS
784-98-5- Standard SMILES
CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]- InChIKey
AKWXORMMOJRIBI-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Ethyl 3-(o-nitrophenyl)pyruvate
- IUPAC
- ethyl 3-(2-nitrophenyl)-2-oxopropanoate
- English name
- ethyl 3-(o-nitrophenyl)pyruvate
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
784-98-5ethyl 3-(2-nitrophenyl)-2-oxopropanoateEthyl 3-(o-nitrophenyl)pyruvateBenzenepropanoic acid,2-nitro-a-oxo-, ethyl esterEthyl 2-nitro-alpha-oxobenzenepropanoate7X2UW99BD2NSC-157844EINECS 212-318-9NSC157844ethyl o-nitrophenylpyruvateUNII-7X2UW99BD2SCHEMBL2606755
Show more names
Ethyl 2-nitro-α-oxobenzenepropanoateo-Nitrophenylpyruvic acid ethyl esterα-Oxo-2-nitrobenzenepropionic acid ethyl ester2-Nitro-α-oxobenzenepropanoic acid ethyl ester3-(o-Nitrophenyl)-2-oxopropionic acid ethyl esterBenzenepropanoic acid，2-nitro-a-oxo-， ethyl esterBenzenepropanoic acid, 2-nitro-α-oxo-, ethyl ester
SCHEMBL31016519DTXSID70229064AKWXORMMOJRIBI-UHFFFAOYSA-NEthyl 2-nitro-|_-oxobenzenepropanoateNSC 157844ethyl 3-(2-nitrophenyl)-2-oxo-propanoateDB-208683NS00037993
Database identifiers
- CAS
784-98-5- PubChem CID
- 69915
- DTXSID
DTXSID70229064- UNII
- 7X2UW99BD2
- EC Number
- 212-318-9
- Nikkaji
- J31.447A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 365.5 · 365.5±25.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- FDA UNII
- 7 X2UW99BD2 · 7X2UW99BD2
- Comptox DTXSID
- 70229064 · DTXSID70229064
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2918300090 · 2918300090
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
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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