Basic information
- CAS
70978-47-1- Standard SMILES
CCC(=O)c1cc(CC)cc([N+](=O)[O-])c1O- InChIKey
OERXDHSXDFTTGV-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 1-(5-Ethyl-2-hydroxy-3-nitrophenyl)propan-1-one
- IUPAC
- 1-(5-ethyl-2-hydroxy-3-nitrophenyl)propan-1-one
- English name
- 5'-ETHYL-2'-HYDROXY-3'-NITROPROPIOPHENONE
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.22522
Names & synonyms
70978-47-11-(5-Ethyl-2-hydroxy-3-nitrophenyl)propan-1-oneSCHEMBL11069085DTXSID305446495'-ETHYL-2'-HYDROXY-3'-NITROPROPIOPHENONE
Database identifiers
- CAS
70978-47-1- PubChem CID
- 13596221
- DTXSID
DTXSID30544649
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 86.5 · 86.5–87.5°C
Chemistry & industry
Preparation methods
PreparationPreparation by nitration of 5-ethyl-2-hydroxypropiophenone at 20° (25%), with concentrated nitric acid (d = 1.42) in concentrated sulfuric acid between 15° and 5°.
Suppliers2 total
CARBOCORE[email protected]
MOLEKULA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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