Cas no 733019-13-1 (1-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxylic acid)

1-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxylic acid structure
733019-13-1 structure
Product Name:1-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxylic acid
CAS No:733019-13-1
MF:C8H7NO2
MW:149.146682024002
CID:559410
PubChem ID:45084715
Update Time:2025-04-19

1-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carboxylicacid, 1-(2-propyn-1-yl)-
    • 1H-Pyrrole-2-carboxylicacid, 1-(2-propynyl)- (9CI)
    • 1-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxylic acid
    • AKOS006380982
    • EN300-1246714
    • DTXSID90665667
    • Z1205496322
    • CS-0225702
    • 1-prop-2-ynylpyrrole-2-carboxylic acid
    • SCHEMBL10428510
    • 733019-13-1
    • Inchi: 1S/C8H7NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h1,3-4,6H,5H2,(H,10,11)
    • InChI Key: QYDMBFZILHJOEV-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CN1CC#C)=O

Computed Properties

  • Exact Mass: 149.048
  • Monoisotopic Mass: 149.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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
  • Topological Polar Surface Area: 42.2A^2
  • XLogP3: 0.7

1-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxylic acid Pricemore >>

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