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3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanoic acid
[CAS# 890625-93-1]

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Identification
Name 3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanoic acid
Synonyms 1H-PYRAZOLE-4-PROPANOICACID, 3,5-DIMETHYL-; 3-(3,5-Dimethyl-1 H -pyrazol-4-yl)-propionic acid; 3-(3,5-dimethyl-1H-pyrazol-2-ium-4-yl)propanoate
Molecular Structure CAS#: 890625-93-1, 3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanoic acid
Molecular Formula C8H12N2O2
Molecular Weight 168.19
CAS Registry Number 890625-93-1
SMILES O=C(O)CCc1c(nnc1C)C
InChI 1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey NKTYLFMWIMKAKT-UHFFFAOYSA-N
Properties
Density 1.223g/cm3 (Cal.)
Boiling point 385.661°C at 760 mmHg (Cal.)
Flash point 187.042°C (Cal.)
Refractive index 1.556 (Cal.)
Safety Data
Safety Description IRRITANT
SDS Available
Market Analysis Reports
List of Reports Available for 3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanoic acid
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