Cas no 199604-16-5 (Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester)

Carbamic  acid,  N-[(4-methylphenyl)methylene]-,  methyl  ester structure
199604-16-5 structure
Product Name:Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester
CAS No:199604-16-5
MF:C10H11NO2
MW:177.199842691422
CID:908728
Update Time:2024-06-15

Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester
    • Inchi: 1S/C10H11NO2/c1-8-3-5-9(6-4-8)7-11-10(12)13-2/h3-7H,1-2H3
    • InChI Key: JJIZKBSNCVIUQT-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)N=CC1=CC=C(C)C=C1

Computed Properties

  • Exact Mass: 177.07903
  • Monoisotopic Mass: 177.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 38.7A^2

Experimental Properties

  • PSA: 38.66
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