Cas no 72101-53-2 (3-Butoxy-4-nitrobenzoic Acid)

3-Butoxy-4-nitrobenzoic Acid structure
3-Butoxy-4-nitrobenzoic Acid structure
Product Name:3-Butoxy-4-nitrobenzoic Acid
CAS No:72101-53-2
MF:C11H13NO5
MW:239.224623441696
CID:571142
Update Time:2025-04-19

3-Butoxy-4-nitrobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-butoxy-4-nitro-
    • 3-BUTOXY-4-NITROBENZOIC ACID
    • Butoxy nitrobenzoic acid
    • 1-Butoxy-3-oxocyclohex-2-ene
    • 2-Cyclohexen-1-one,3-butoxy-
    • 3-butanoxycyclohex-2-en-1-one
    • 3-butoxy-2-cyclohexenone
    • 3-Butoxy-4-nitro-benzoesaeure
    • 3-butoxy-4-nitro-benzoic acid
    • 3-Butoxy-cyclohex-2-enon
    • 3-butoxy-cyclohex-2-enone
    • 3-n-butoxy-2-cyclohexen-1-one
    • 3-n-Butoxy-4-nitrobenzoic acid
    • AC1L39I9
    • AC1Q6CN9
    • CTK4D1941
    • 3-Butoxy-4-nitrobenzoic Acid
    • Inchi： 1S/C11H13NO5/c1-2-3-6-17-10-7-8(11(13)14)4-5-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)
    • InChI Key： RITZSLUFIIRTTQ-UHFFFAOYSA-N
    • SMILES： O(C1C=C(C(=O)O)C=CC=1[N+](=O)[O-])CCCC

Computed Properties

  • Exact Mass: 239.07939
  • Monoisotopic Mass: 239.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 276
  • 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: 3
  • Topological Polar Surface Area: 92.4A^2

Experimental Properties

  • Density: 1.277
  • Boiling Point: 422.4°C at 760 mmHg
  • Flash Point: 209.3°C
  • Refractive Index: 1.557
  • PSA: 89.67
  • LogP: 2.99510

3-Butoxy-4-nitrobenzoic Acid Pricemore >>

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