-ISIS- 05031710462D 13 13 0 0 0 0 0 0 0 0999 V2000 2.3292 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -8.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -10.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -10.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -10.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -6.3833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3292 -5.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -5.9125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 1 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 11 1 13 -1 M END > <Catalog No.> CFN90115 > <Name> 3-Methyl-4-nitrobenzoic acid > <CAS Number> 3113-71-1 > <Purity> 98% > <Formula> C8H7NO4 > <Mol Weight> 181.15 > <Physical Description> Powder > <Type of Compound> Alkaloids > <Solvent> Pyridine, Methanol, Ethanol, etc. > <WebLink> http://www.chemfaces.com/natural/3-Methyl-4-nitrobenzoic-acid-CFN90115.html $$$$