Cas no 1006453-04-8 (4-(4-methyl-1H-pyrazol-1-yl)butanoic acid)

4-(4-methyl-1H-pyrazol-1-yl)butanoic acid structure
1006453-04-8 structure
Product Name:4-(4-methyl-1H-pyrazol-1-yl)butanoic acid
CAS No:1006453-04-8
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD06805400
CID:3059088
PubChem ID:19620049
Update Time:2025-04-21

4-(4-methyl-1H-pyrazol-1-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Methyl-pyrazol-1-yl)-butyric acid
    • 4-(4-methyl-1H-pyrazol-1-yl)butanoic acid
    • SCHEMBL13127885
    • BBL038069
    • 4-(4-methylpyrazol-1-yl)butanoic acid
    • 1006453-04-8
    • CS-0440143
    • GQB45304
    • EN300-92659
    • 4-(4-methyl-1H-pyrazol-1-yl)butanoicacid
    • AKOS000309141
    • MFCD06805400
    • STK347033
    • MDL： MFCD06805400
    • Inchi： 1S/C8H12N2O2/c1-7-5-9-10(6-7)4-2-3-8(11)12/h5-6H,2-4H2,1H3,(H,11,12)
    • InChI Key： LEEJKQABVVGZJR-UHFFFAOYSA-N
    • SMILES： OC(CCCN1C=C(C)C=N1)=O

Computed Properties

  • Exact Mass: 168.089877630Da
  • Monoisotopic Mass: 168.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 161
  • 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: 55.1?2

4-(4-methyl-1H-pyrazol-1-yl)butanoic acid Pricemore >>

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