4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

Base Information

• Chemical Name: 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
• CAS No.: 851628-34-7
• Molecular Formula: C13H14 N2 O3
• Molecular Weight: 246.26
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00368798
• Wikidata: Q82155622
• ChEMBL ID: CHEMBL4650666
• Mol file: 851628-34-7.mol

Synonyms:851628-34-7;4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid;4-(3-p-Tolyl-[1,2,4]oxadiazol-5-yl)-butyric acid;4-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)butanoic acid;CHEMBL4650666;SCHEMBL24326607;DTXSID00368798;MFCD06383511;STK500688;AKOS000265223;LS-02788;CS-0315545;4-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)butanoicacid;Z57674486;4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoicacid

Chemical Property of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

Chemical Property:

• Vapor Pressure: 3.7E-09mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 457.4°C at 760 mmHg
• PKA: 4.54±0.10(Predicted)
• Flash Point: 230.4°C
• PSA: 76.22000
• Density: 1.227g/cm³
• LogP: 2.45230
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)O