Propanedioic acid, (2-oxo-3(2H)-benzothiazolyl)-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, (2-oxo-3(2H)-benzothiazolyl)-, dimethyl ester
• CAS No.: 61516-71-0
• Molecular Formula: C12H11NO5S
• DSSTox Substance ID: DTXSID40404826
• Nikkaji Number: J465.227D
• Wikidata: Q82209159
• Mol file: 61516-71-0.mol

Synonyms:61516-71-0;Propanedioic acid, (2-oxo-3(2H)-benzothiazolyl)-, dimethyl ester;Oprea1_110008;SCHEMBL11739205;DTXSID40404826;AKOS024326651;dimethyl 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)malonate

Chemical Property of Propanedioic acid, (2-oxo-3(2H)-benzothiazolyl)-, dimethyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 281.03579362
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C(=O)OC)N1C2=CC=CC=C2SC1=O