3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoic acid

Base Information

• Chemical Name: 3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoic acid
• CAS No.: 247571-62-6
• Molecular Formula: C11H9NO4
• Molecular Weight: 219.19
• Hs Code.: 2934999090
• European Community (EC) Number: 856-922-6
• DSSTox Substance ID: DTXSID70350680
• Wikidata: Q82126749
• ChEMBL ID: CHEMBL3637820
• Mol file: 247571-62-6.mol

Synonyms:247571-62-6;3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoic acid;3-(2-Oxo-2H-benzo[b][1,4]oxazin-3-yl)propanoic acid;3-(2-Oxo-2H-benzo[1,4]oxazin-3-yl)-propionic acid;3-(2-oxo-1,4-benzoxazin-3-yl)propanoic acid;ChemDiv2_000005;Oprea1_382099;Oprea1_622954;3-(2-Oxo-2H-benzo[b][1,4]oxazin-3-yl)propanoicacid;CHEMBL3637820;DTXSID70350680;HMS1369A05;XJA57162;STK675754;AKOS000268911;CCG-103059;CS-0308265;EU-0033320;EN300-11309;SR-01000388525;SR-01000388525-1;BRD-K15873772-001-01-2;Z57042007

Chemical Property of 3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoic acid

Chemical Property:

• PSA: 80.40000
• LogP: 1.20520
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(C(=O)O2)CCC(=O)O