Cas no 75436-40-7 (1H-Pyrazole-3-carboxylicacid, 5-formyl-, methyl ester)

1H-Pyrazole-3-carboxylicacid, 5-formyl-, methyl ester structure
75436-40-7 structure
Product Name:1H-Pyrazole-3-carboxylicacid, 5-formyl-, methyl ester
CAS No:75436-40-7
MF:C6H6N2O3
MW:154.12344121933
MDL:MFCD17170014
CID:563015
PubChem ID:12609051
Update Time:2025-04-19

1H-Pyrazole-3-carboxylicacid, 5-formyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylicacid, 5-formyl-, methyl ester
    • methyl 5-formyl-1H-pyrazole-3-carboxylate
    • 5-FORMYL-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
    • I11-0371
    • methyl 3-formyl-1H-pyrazole-5-carboxylate
    • MFCD17170014
    • DTXSID50504260
    • SY264928
    • SCHEMBL2628053
    • AMY17371
    • AKOS015898273
    • 75436-40-7
    • MDL: MFCD17170014
    • Inchi: 1S/C6H6N2O3/c1-11-6(10)5-2-4(3-9)7-8-5/h2-3H,1H3,(H,7,8)
    • InChI Key: CCJLAYQZMSHUJW-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C=O)NN=1)=O

Computed Properties

  • Exact Mass: 154.03800
  • Monoisotopic Mass: 154.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 171
  • 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
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: 0.2
  • Topological Polar Surface Area: 72?2

Experimental Properties

  • Density: 1.394
  • Boiling Point: 373.803 °C at 760 mmHg
  • Flash Point: 179.87 °C
  • PSA: 72.05000
  • LogP: 0.00880

1H-Pyrazole-3-carboxylicacid, 5-formyl-, methyl ester Pricemore >>

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