Cas no 99357-88-7 (5-(aminocarbonyl)-2-methylbenzoic acid)

5-(aminocarbonyl)-2-methylbenzoic acid structure
99357-88-7 structure
Product Name:5-(aminocarbonyl)-2-methylbenzoic acid
CAS No:99357-88-7
MF:C9H9NO3
MW:179.172662496567
CID:2114697
Update Time:2025-11-05

5-(aminocarbonyl)-2-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(aminocarbonyl)-2-methylBenzoic acid
    • 5-carbamoyl-2-methylbenzoic acid
    • CID 59273634
    • 6-methyl-isophthalamic acid
    • Benzoic acid, 5-(aminocarbonyl)-2-methyl-
    • 5-(aminocarbonyl)-2-methylbenzoic acid
    • Inchi: 1S/C9H9NO3/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H2,10,11)(H,12,13)
    • InChI Key: LZMONZCDSLCIAC-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C(N)=O)C=CC=1C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 227
  • XLogP3: 1.3
  • Topological Polar Surface Area: 80.4

Experimental Properties

  • Density: 1.308±0.06 g/cm3(Predicted)
  • Boiling Point: 362.8±35.0 °C(Predicted)
  • pka: 3.60±0.25(Predicted)

5-(aminocarbonyl)-2-methylbenzoic acid Pricemore >>

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