Cas no 512810-21-8 (3-(4-nitro-1H-pyrazol-1-yl)propanoic acid)

3-(4-nitro-1H-pyrazol-1-yl)propanoic acid structure
512810-21-8 structure
Product Name:3-(4-nitro-1H-pyrazol-1-yl)propanoic acid
CAS No:512810-21-8
MF:C6H7N3O4
MW:185.137480974197
MDL:MFCD03074554
CID:2122602
PubChem ID:1229867
Update Time:2025-04-21

3-(4-nitro-1H-pyrazol-1-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid
    • 3-(4-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID
    • 3-{4-nitro-1H-pyrazol-1-yl}propanoic acid
    • AKOS000204703
    • DB-338909
    • Z228588526
    • Oprea1_003601
    • 899-646-1
    • BBL015875
    • MFCD03074554
    • AKOS015922307
    • SCHEMBL672001
    • 3-(4-nitropyrazol-1-yl)propanoic acid
    • 4-Nitro-1H-pyrazole-1-propanoic acid
    • STK348651
    • G31105
    • 3-(4-nitro-1H-pyrazol-1-yl)propanoicacid
    • EN300-52701
    • AK-968/41170472
    • FS-6036
    • ALBB-004382
    • DTXCID201721401
    • DTXSID601290795
    • DRVNKZUIVXMXHJ-UHFFFAOYSA-N
    • 512810-21-8
    • MDL: MFCD03074554
    • Inchi: 1S/C6H7N3O4/c10-6(11)1-2-8-4-5(3-7-8)9(12)13/h3-4H,1-2H2,(H,10,11)
    • InChI Key: DRVNKZUIVXMXHJ-UHFFFAOYSA-N
    • SMILES: OC(CCN1C=C(C=N1)[N+](=O)[O-])=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: -0.5
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Melting Point: 143-145 °C
  • 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-(4-nitro-1H-pyrazol-1-yl)propanoic acid Security Information

3-(4-nitro-1H-pyrazol-1-yl)propanoic acid Pricemore >>

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