IUPAC Name: | 3-methyl-2-nitrobenzoic acid |
Description: | 3-Methyl-2-nitrobenzoic acid (CAS# 5437-38-7) is a building block used for the synthesis of various compounds. It can be used for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | CC1=CC=CC(=C1[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11) |
InChI Key: | DGDAVTPQCQXLGU-UHFFFAOYSA-N |
Boiling Point: | 340 °C at 760 mmHg |
Melting Point: | 428 to 432 °F |
Density: | 1.392 g/cm3 |
Appearance: | Prisms or white crystalline solid |
MDL: | MFCD00007180 |
LogP: | 2.12460 |
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Carbonyl Compounds
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