Cas no 142314-69-0 (Benzoic acid, 2-formyl-5-nitro-, methyl ester)

Benzoic acid, 2-formyl-5-nitro-, methyl ester structure
142314-69-0 structure
Product Name:Benzoic acid, 2-formyl-5-nitro-, methyl ester
CAS No:142314-69-0
MF:C9H7NO5
MW:209.155582666397
CID:1311176
PubChem ID:19788121
Update Time:2025-09-28

Benzoic acid, 2-formyl-5-nitro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-formyl-5-nitro-, methyl ester
    • methyl 2-formyl-5-nitrobenzoate
    • DB-319878
    • 142314-69-0
    • DPABNAAJVWBNAT-UHFFFAOYSA-N
    • DTXSID60599925
    • SCHEMBL9475477
    • EN300-4417586
    • Z1650063186
    • Inchi: 1S/C9H7NO5/c1-15-9(12)8-4-7(10(13)14)3-2-6(8)5-11/h2-5H,1H3
    • InChI Key: DPABNAAJVWBNAT-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C=CC=1C=O)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 209.03241
  • Monoisotopic Mass: 209.03242232g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 272
  • 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: 1.1
  • Topological Polar Surface Area: 89.2?2

Experimental Properties

  • PSA: 86.51

Benzoic acid, 2-formyl-5-nitro-, methyl ester Pricemore >>

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