Cas no 50712-64-6 (Benzeneacetic acid, a-methyl-4-nitro-, ethyl ester)

Benzeneacetic acid, a-methyl-4-nitro-, ethyl ester structure
50712-64-6 structure
Product Name:Benzeneacetic acid, a-methyl-4-nitro-, ethyl ester
CAS No:50712-64-6
MF:C11H13NO4
MW:223.225223302841
CID:369785
PubChem ID:3016550
Update Time:2025-04-19

Benzeneacetic acid, a-methyl-4-nitro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-methyl-4-nitro-, ethyl ester
    • ethyl 2-(4-nitrophenyl)propanoate
    • ethyl 2-(4-nitrophenyl)propionate
    • 50712-64-6
    • GMOOHUQPPFJAQB-UHFFFAOYSA-N
    • ethyl2-(4-nitrophenyl)propanoate
    • SCHEMBL4136472
    • ethyl alpha-(4-nitrophenyl)-propionate
    • DTXSID50964961
    • CS-0312121
    • 2-(4-Nitro-phenyl)-propionic acid ethyl ester
    • NS00057857
    • F80345
    • EINECS 256-732-8
    • FT-0737290
    • ethyl (+/-)-2-(4-nitrophenyl)propionate
    • Inchi: 1S/C11H13NO4/c1-3-16-11(13)8(2)9-4-6-10(7-5-9)12(14)15/h4-8H,3H2,1-2H3
    • InChI Key: GMOOHUQPPFJAQB-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 223.08449
  • Monoisotopic Mass: 223.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 253
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • Density: 1.188
  • Boiling Point: 320.6°C at 760 mmHg
  • Flash Point: 134.5°C
  • Refractive Index: 1.529
  • PSA: 69.44

Benzeneacetic acid, a-methyl-4-nitro-, ethyl ester Pricemore >>

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