| Weight | 235.239 g/mol |
|---|---|
| Formula | C12H13NO4 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 2 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 5 |
4-[(2-acetylphenyl)amino]-4-oxobutanoic acid (41242-37-9)
41242-37-9
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Most-cited Publications
- FT-IR, molecular structure, first order hyperpolarizability, MEP, HOMO and LUMO analysis and NBO analysis of 4-[(3-acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid. (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015)
- Synthesis, Characterization, Crystal Structure, and Thermal Analysis of 4-[(3-acetylphenyl)amino]-2-methylidene-4-oxobutanoic Acid (Molecular Crystals and Liquid Crystals, 2014)
- 4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid, a newly synthesized amide with hydrophilic and hydrophobic segments: Spectroscopic characterization and investigation of reactive properties (Journal of The Serbian Chemical Society, 2017)
Alternate Names
- 41242-37-9
-
SMILESCC(=O)C1=CC=CC=C1NC(=O)CCC(=O)O
-
InChIKeyAJFVLYLOGPQKGZ-UHFFFAOYSA-N
Estimated Properties
| Boiling Point | 366.58 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 445.85 C | EPI Suite |
| Density | 1.27 g/cm3 | EPA T.E.S.T. |
| Flash Point | 212.47 C | EPA T.E.S.T. |
| Melting Point | 187.3 C | EPI Suite |
| Water Solubility | 1501.47 mg/L | EPA T.E.S.T. |
| Water Solubility | 103630 mg/L | EPI Suite |
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