Cas no 1006319-54-5 (methyl 1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-3-carboxylate)

methyl 1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-3-carboxylate structure
1006319-54-5 structure
Product Name:methyl 1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-3-carboxylate
CAS No:1006319-54-5
MF:C9H12N2O4
MW:212.202582359314
MDL:MFCD08559103
CID:3060842
PubChem ID:19576911
Update Time:2025-04-21

methyl 1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Ethoxycarbonylmethyl-1H-pyrazole-3-carboxylic acid methyl ester
    • methyl 1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-3-carboxylate
    • 1006319-54-5
    • CS-0299147
    • STK351548
    • AKOS000319200
    • EN300-231215
    • methyl1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-3-carboxylate
    • methyl 1-(2-ethoxy-2-oxoethyl)pyrazole-3-carboxylate
    • MDL： MFCD08559103
    • Inchi： 1S/C9H12N2O4/c1-3-15-8(12)6-11-5-4-7(10-11)9(13)14-2/h4-5H,3,6H2,1-2H3
    • InChI Key： JMKWDXCYZDHLTJ-UHFFFAOYSA-N
    • SMILES： O(CC)C(CN1C=CC(C(=O)OC)=N1)=O

Computed Properties

  • Exact Mass: 212.07970687Da
  • Monoisotopic Mass: 212.07970687Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 244
  • 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: 0.8
  • Topological Polar Surface Area: 70.4?2

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