4-Iodo-3-methyl-1H-pyrazole-1-butanoic acid

CAS Registry Number®

1354705-25-1
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CAS Name

4-Iodo-3-methyl-1H-pyrazole-1-butanoic acid

Molecular Formula

C8H11IN2O2

Molecular Mass

294.09

Cite this Page

4-Iodo-3-methyl-1H-pyrazole-1-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1354705-25-1 (retrieved 2024-09-09) (CAS RN: 1354705-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H11IN2O2/c1-6-7(9)5-11(10-6)4-2-3-8(12)13/h5H,2-4H2,1H3,(H,12,13)

InChIKey

InChIKey=LYVDBMZZVKLUIN-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)N1C=C(I)C(C)=N1

Canonical SMILES

O=C(O)CCCN1N=C(C(I)=C1)C

Other Names for this Substance

  • 1H-Pyrazole-1-butanoic acid, 4-iodo-3-methyl-
  • 4-Iodo-3-methyl-1H-pyrazole-1-butanoic acid