Substance
- Substance Name: 5-methyl-2-nitrobenzoic acid
- Formula: C8H7NO4
- Molecular Weight: 181.15 g/mol
- Identifiers:
- inchi: InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
- inchikey: QRRSIFNWHCKMSW-UHFFFAOYSA-N
- casrn: 3113-72-2
- csmiles: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
- ismiles: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
- pubchemId: 18371
- iupacname: 5-methyl-2-nitrobenzoic acid
- wikidataId: Q27283681
- chemspiderId: 17349
- dsstoxcmpId: DTXCID105643
- ecnumber: 221-481-5
5-methyl-2-nitrobenzoic acid
Systems and Datasets
- 5-methyl-2-nitrobenzoic acid + water (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- 5-methyl-2-nitrobenzoic acid + methanol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 8, Quantity: Mass ratio of solute to solvent)
- 5-methyl-2-nitrobenzoic acid + ethanol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 10, Quantity: Mass ratio of solute to solvent)
- 5-methyl-2-nitrobenzoic acid + propan-1-ol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- 5-methyl-2-nitrobenzoic acid + formic acid (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- 5-methyl-2-nitrobenzoic acid + acetic acid (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 10, Quantity: Mass ratio of solute to solvent)
- 5-methyl-2-nitrobenzoic acid + propanoic acid (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)