3-Propylpyrazine-2-carboxylic acid

Base Information

• Chemical Name: 3-Propylpyrazine-2-carboxylic acid
• CAS No.: 113282-87-4
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.1772
• DSSTox Substance ID: DTXSID70601260
• Wikidata: Q82497779
• Mol file: 113282-87-4.mol

Synonyms:3-Propylpyrazine-2-carboxylic acid;113282-87-4;Pyrazinecarboxylic acid, 3-propyl- (9CI);SCHEMBL9691428;DTXSID70601260;3-Propylpyrazine-2-carboxylicacid

Chemical Property of 3-Propylpyrazine-2-carboxylic acid

Chemical Property:

• Boiling Point: 300.7±37.0 °C(Predicted)
• PKA: 3.07±0.10(Predicted)
• PSA: 63.08000
• Density: 1.206±0.06 g/cm3(Predicted)
• LogP: 1.12730
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC=CN=C1C(=O)O

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