3-(Pyrimidin-5-yl)propanoic acid

Base Information

• Chemical Name: 3-(Pyrimidin-5-yl)propanoic acid
• CAS No.: 933682-83-8
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.15062
• Hs Code.: 2933599090
• European Community (EC) Number: 853-314-2
• DSSTox Substance ID: DTXSID70591490
• Wikidata: Q82485267
• Mol file: 933682-83-8.mol

Synonyms:3-(Pyrimidin-5-yl)propanoic acid;933682-83-8;3-pyrimidin-5-ylpropanoic acid;MFCD10700178;SCHEMBL7011872;3-(5-Pyrimidinyl)propanoic Acid;3-(Pyrimidin-5-yl)propanoicacid;DTXSID70591490;AKOS006304641;SB56524;AS-61095;SY124975;DB-347721;CS-0047341;EN300-215464;A1-00928;J-510963;Z1198279878

Chemical Property of 3-(Pyrimidin-5-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.00013mmHg at 25°C
• Boiling Point: 320.6°C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 147.7°C
• PSA: 63.08000
• Density: 1.269g/cm³
• LogP: 0.49380
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

98% ^*data from raw suppliers

3-(pyrimidin-5-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=N1)CCC(=O)O