Methyl 3-(2-nitrophenyl)-2-oxopropanoate
Basic information
- CAS
79547-07-2- Standard SMILES
COC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]- InChIKey
BJUFXOPELRQGNJ-UHFFFAOYSA-N- Molecular formula
- C10H9NO5
- Average molar mass
- 223.18 g/mol
- Monoisotopic mass
- 223.04807239
Names & identifiers
- Preferred name
- Methyl 3-(2-nitrophenyl)-2-oxopropanoate
- IUPAC
- methyl 3-(2-nitrophenyl)-2-oxopropanoate
- English name
- methyl 3-(o-nitrophenyl)pyruvate
- Molecular formula
- C10H9NO5
- Molecular weight
- 223.18
Names & synonyms
methyl 3-(2-nitrophenyl)-2-oxopropanoate79547-07-2Methyl 3-(o-nitrophenyl)pyruvateEINECS 279-179-4SCHEMBL7633450methyl 3-(2-nitrophenyl)pyruvateDTXSID201000584MFCD00832019AKOS024385244SY338806CS-0108628NS00061058
Show more names
2-Nitro-α-oxobenzenepropanoic acid methyl esterBenzenepropanoic acid,2-nitro-a-oxo-, methyl ester
ST51035883
Database identifiers
- CAS
79547-07-2- PubChem CID
- 3018840
- DTXSID
DTXSID201000584- EC Number
- 279-179-4
- Nikkaji
- J319.281D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
Loading…