Cas no 80633-44-9 ()

80633-44-9 structure
structure
Product Name:
CAS No:80633-44-9
MF:C11H13NO2
MW:191.226423025131
CID:6772836
PubChem ID:19363500
Update Time:2024-03-04

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C11H13NO2/c1-2-11(14)12-8-7-9-3-5-10(13)6-4-9/h2-6,13H,1,7-8H2,(H,12,14)
    • InChI Key: UQGJFSMHOWCDHE-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)CCNC(C=C)=O

Computed Properties

  • Exact Mass: 191.094628657g/mol
  • Monoisotopic Mass: 191.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 196
  • 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: 1.7
  • Topological Polar Surface Area: 49.3?2

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