Cas no 1004644-63-6 (3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid)

3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid structure
1004644-63-6 structure
Product Name:3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid
CAS No:1004644-63-6
MF:C6H7N3O4
MW:185.137480974197
MDL:MFCD03419659
CID:3056954
PubChem ID:7018453
Update Time:2025-04-21

3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid
    • AKOS B007212
    • AKOS PAO-1014
    • ART-CHEM-BB B007212
    • 3-(3-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID
    • CS-0270822
    • MFCD03419659
    • ALBB-004386
    • STK313218
    • EN300-83581
    • BBL039249
    • AKOS025211899
    • AKOS015922320
    • SCHEMBL10732353
    • 3-(3-nitro-1H-pyrazol-1-yl)propanoicacid
    • 1004644-63-6
    • AKOS000308334
    • 3-(3-nitropyrazol-1-yl)propanoic Acid
    • MDL： MFCD03419659
    • Inchi： 1S/C6H7N3O4/c10-6(11)2-4-8-3-1-5(7-8)9(12)13/h1,3H,2,4H2,(H,10,11)
    • InChI Key： AFWPVKFJLIAARM-UHFFFAOYSA-N
    • SMILES： OC(CCN1C=CC([N+](=O)[O-])=N1)=O

Computed Properties

  • Exact Mass: 185.04365571Da
  • Monoisotopic Mass: 185.04365571Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 214
  • 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: -0.2
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 419.3±25.0 °C at 760 mmHg
  • Flash Point: 207.4±23.2 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid Security Information

3-(3-Nitro-1H-pyrazol-1-yl)propanoic acid Pricemore >>

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