Cas no 4195-16-8 (Propanoic acid, 2-methyl-, 4-nitrophenyl ester)

Propanoic acid, 2-methyl-, 4-nitrophenyl ester structure
4195-16-8 structure
Product Name:Propanoic acid, 2-methyl-, 4-nitrophenyl ester
CAS No:4195-16-8
MF:C10H11NO4
MW:209.198642969131
CID:324304
PubChem ID:532742
Update Time:2025-04-19

Propanoic acid, 2-methyl-, 4-nitrophenyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-methyl-, 4-nitrophenyl ester
    • (4-nitrophenyl) 2-methylpropanoate
    • CHEMBL3272675
    • 4195-16-8
    • DTXSID10336367
    • 2-Methylpropionic acid, 4-nitrophenyl ester
    • SCHEMBL4683792
    • p-nitrophenyl isobutyrate
    • 4-nitrophenyl isobutyrate
    • 4-nitrophenyl 2-methylpropanate
    • Inchi: 1S/C10H11NO4/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3
    • InChI Key: AIKAOGTVMFOQKJ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C(C(C)C)=O

Computed Properties

  • Exact Mass: 209.06883
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 238
  • 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: 2.5
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 69.44
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