Cas no 2229248-03-5 (2-methyl-2-(4-nitro-1H-pyrazol-3-yl)propanal)

2-methyl-2-(4-nitro-1H-pyrazol-3-yl)propanal structure
2229248-03-5 structure
Product Name:2-methyl-2-(4-nitro-1H-pyrazol-3-yl)propanal
CAS No:2229248-03-5
MF:C7H9N3O3
MW:183.164661169052
CID:5599966
PubChem ID:165946757
Update Time:2023-08-23

2-methyl-2-(4-nitro-1H-pyrazol-3-yl)propanal Chemical and Physical Properties

Names and Identifiers

    • 2229248-03-5
    • 2-methyl-2-(4-nitro-1H-pyrazol-3-yl)propanal
    • EN300-1793139
    • Inchi: 1S/C7H9N3O3/c1-7(2,4-11)6-5(10(12)13)3-8-9-6/h3-4H,1-2H3,(H,8,9)
    • InChI Key: PHBHOXKAQWMNKJ-UHFFFAOYSA-N
    • SMILES: O=CC(C)(C)C1=C(C=NN1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 183.06439116g/mol
  • Monoisotopic Mass: 183.06439116g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 224
  • 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: 0.4
  • Topological Polar Surface Area: 91.6?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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