4-Pyridinepropanoic acid, alpha-fluoro-beta-oxo-, ethyl ester

Base Information

• Chemical Name: 4-Pyridinepropanoic acid, alpha-fluoro-beta-oxo-, ethyl ester
• CAS No.: 731770-29-9
• Molecular Formula: C10H10 F N O3
• Molecular Weight: 211.1897032
• DSSTox Substance ID: DTXSID30438211
• Mol file: 731770-29-9.mol

Synonyms:731770-29-9;4-PYRIDINEPROPANOIC ACID, ALPHA-FLUORO-BETA-OXO-, ETHYL ESTER;ethyl 2-fluoro-3-oxo-3-(pyridin-4-yl)propanoate;SCHEMBL1380026;DTXSID30438211;EN300-1457744

Chemical Property of 4-Pyridinepropanoic acid, alpha-fluoro-beta-oxo-, ethyl ester

Chemical Property:

• PSA: 56.26000
• LogP: 1.16550
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 211.06447134
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C1=CC=NC=C1)F