Cas no 750559-12-7 (1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-)

1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)- structure
750559-12-7 structure
Product Name:1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-
CAS No:750559-12-7
MF:C8H11NO2
MW:153.178442239761
CID:561581
PubChem ID:45091812
Update Time:2024-03-01

1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-
    • 1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-(9CI)
    • 1H-Pyrrole, 2-(2-methyl-1,3-dioxolan-2-yl)-
    • Inchi: 1S/C8H11NO2/c1-8(10-5-6-11-8)7-3-2-4-9-7/h2-4,9H,5-6H2,1H3
    • InChI Key: SHTVLQSPNNGSNV-UHFFFAOYSA-N
    • SMILES: N1C=CC=C1C1(C)OCCO1

Computed Properties

  • Exact Mass: 153.079
  • Monoisotopic Mass: 153.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 143
  • 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: 34.2A^2
  • XLogP3: 0.3
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