Cas no 63940-82-9 (2-Propenenitrile, 3-methoxy-2-methyl-)

2-Propenenitrile, 3-methoxy-2-methyl- structure
63940-82-9 structure
Product Name:2-Propenenitrile, 3-methoxy-2-methyl-
CAS No:63940-82-9
MF:C5H7NO
MW:97.1151812076569
CID:1669817
PubChem ID:21765872
Update Time:2025-04-21

2-Propenenitrile, 3-methoxy-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenenitrile, 3-methoxy-2-methyl-
    • 63940-82-9
    • 3-METHOXY-2-METHYLACRYLONITRILE
    • Inchi: 1S/C5H7NO/c1-5(3-6)4-7-2/h4H,1-2H3/b5-4+
    • InChI Key: HLNBUNYQJSGUFH-SNAWJCMRSA-N
    • SMILES: O(C)/C=C(/C#N)\C

Computed Properties

  • Exact Mass: 97.05281
  • Monoisotopic Mass: 97.052763847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 117
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02
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