(3-methyl-1H-pyrazol-1-yl)acetic acid

Base Information

• Chemical Name: (3-methyl-1H-pyrazol-1-yl)acetic acid
• CAS No.: 180741-30-4
• Molecular Formula: C6H8 N2 O2
• Molecular Weight: 140.142
• Hs Code.: 2933199090
• European Community (EC) Number: 675-278-5
• DSSTox Substance ID: DTXSID90407509
• Wikidata: Q82212792
• Mol file: 180741-30-4.mol

Synonyms:180741-30-4;(3-methyl-1H-pyrazol-1-yl)acetic acid;2-(3-methyl-1H-pyrazol-1-yl)acetic acid;(3-Methyl-pyrazol-1-yl)-acetic acid;2-(3-methylpyrazol-1-yl)acetic Acid;MFCD03419331;1H-Pyrazole-1-aceticacid, 3-methyl-;(3-methylpyrazol-1-yl)acetic acid;1H-Pyrazole-1-acetic acid, 3-methyl-;SCHEMBL604399;DTXSID90407509;JZWDFOAFMVOQKR-UHFFFAOYSA-N;(S)-1-CBZ-2-CYANOPIPERIDINE;AKOS000307952;AB14474;2-(3-methyl-1H-pyrazol-1-yl)aceticacid;AMY202003218;VS-03649;CS-0217733;FT-0643744;EN300-83545;(3-methyl-pyrazol-1-yl)-acetic acid, AldrichCPR;A812560;F2169-1180

Chemical Property of (3-methyl-1H-pyrazol-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000437mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 302.5°C at 760 mmHg
• PKA: 3.68±0.10(Predicted)
• Flash Point: 136.7°C
• PSA: 55.12000
• Density: 1.27g/cm³
• LogP: 0.27610
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

(3-methyl-1H-pyrazol-1-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1)CC(=O)O