Cas no 952569-58-3 (5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid)

5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid structure
952569-58-3 structure
Product Name:5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
CAS No:952569-58-3
MF:C8H9NO4
MW:183.161362409592
MDL:MFCD05863424
CID:836346
PubChem ID:821085
Update Time:2025-04-19

5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
    • 1H-Pyrrole-2,5-dicarboxylic acid 2-ethyl ester
    • 5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid
    • AMY5075
    • FT-0651635
    • CS-0151762
    • BS-33338
    • SB62215
    • A845255
    • 5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylicacid
    • BMQLZHDFXVPFKX-UHFFFAOYSA-N
    • 952569-58-3
    • SCHEMBL1160309
    • O11302
    • DTXSID80356279
    • MFCD05863424
    • AKOS006291922
    • DB-080202
    • AQ-776/42801550
    • MDL: MFCD05863424
    • Inchi: 1S/C8H9NO4/c1-2-13-8(12)6-4-3-5(9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11)
    • InChI Key: BMQLZHDFXVPFKX-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC=C(C(=O)O)N1)=O

Computed Properties

  • Exact Mass: 183.05315777g/mol
  • Monoisotopic Mass: 183.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 216
  • 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: 1.1
  • Topological Polar Surface Area: 79.4?2

5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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TRC
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