3-Nitro-p-toluic acid[3-硝基对甲基苯甲酸]

96-98-0

CAS Name

4-Methyl-3-nitrobenzoic acid

Molecular Formula

C₈H₇NO₄

Molecular Mass

181.15

Compound Properties

• Melting Point (1)

  164-165 °C

• Density (2)

  1.479 g/cm³ (solid)

Source(s)

• (1) Maron, D.; Chemiker-Zeitung, (1914), 37, 394, CAplus
• (2) Singaraju, Aditya B.; CrystEngComm, (2017), 19(18), 2526-2535, CAplus

Other Names and Identifiers

InChI

InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=BBEWSMNRCUXQRF-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(C(O)=O)=CC=C1C

Canonical SMILES

O=C(O)C1=CC=C(C(=C1)N(=O)=O)C

Other Names for this Substance