| Weight | 181.147 g/mol |
|---|---|
| Formula | C8H7NO4 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 2 |
4-Methyl-3-nitrobenzoic acid (96-98-0)
4-methyl-3-nitro-benzoic acid
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- Solubility determination and thermodynamic modeling of 3-methyl-4-nitrobenzoic acid in twelve organic solvents from T = (283.15318.15) K and mixing properties of solutions (The Journal of Chemical Thermodynamics, 2016)
- Structural, optical, thermal and mechanical characterization of an organic nonlinear optical material: 4-methyl-3-nitrobenzoic acid single crystal (Journal of Physics and Chemistry of Solids, 2016)
- Computation of Abraham model solute descriptors for 3-methyl-4-nitrobenzoic acid from measured solubility data (Physics and Chemistry of Liquids, 2017)
- 4-Methyl-3-nitro-benzoic acid, a migration inhibitor, prevents breast cancer metastasis in SCID mice (Cancer Letters, 2011)
- Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory (Optics and Photonics Journal, 2015)
- Solubility of 3-methyl-4-nitrobenzoic acid in binary solvent mixtures of {(1,4-dioxane, N-methyl-2-pyrrolidone, N,N-dimethylformamide) + methanol} from T = (283.15 to 318.15) K: Experimental determination and thermodynamic modelling (The Journal of Chemical Thermodynamics, 2017)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 4-methyl-3-nitro-benzoic acid
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SMILESCC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
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InChIKeyBBEWSMNRCUXQRF-UHFFFAOYSA-N
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