Cas no 1261947-77-6 (3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid)

3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid structure
1261947-77-6 structure
Product Name:3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid
CAS No:1261947-77-6
MF:C15H11NO6
MW:301.250944375992
MDL:MFCD18321247
CID:2765334
PubChem ID:53227138
Update Time:2025-04-21

3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid, 95%
    • 3-(4-METHOXYCARBONYLPHENYL)-5-NITROBENZOIC ACID
    • 1261947-77-6
    • DTXSID20690725
    • MFCD18321247
    • 4'-(Methoxycarbonyl)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
    • 3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid
    • MDL: MFCD18321247
    • Inchi: 1S/C15H11NO6/c1-22-15(19)10-4-2-9(3-5-10)11-6-12(14(17)18)8-13(7-11)16(20)21/h2-8H,1H3,(H,17,18)
    • InChI Key: YMKQHZUTNGTGRU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(=CC=1)C1C=C(C=C(C(=O)O)C=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 301.05863707Da
  • Monoisotopic Mass: 301.05863707Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 438
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 109?2

3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328466-5 g
3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid, 95%; .
1261947-77-6 95%
5g
€1159.00 2023-04-26
abcr
AB328466-5g
3-(4-Methoxycarbonylphenyl)-5-nitrobenzoic acid, 95%; .
1261947-77-6 95%
5g
€1159.00 2025-03-19
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