7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-

Base Information

• Chemical Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-
• CAS No.: 126598-32-1
• Molecular Formula: C13H10 N4 O4 S
• Molecular Weight: 318.3079
• DSSTox Substance ID: DTXSID20155248
• Wikidata: Q83023105
• Mol file: 126598-32-1.mol

Synonyms:126598-32-1;7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-;3-(1,3-Benzodioxol-5-yl)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid;DTXSID20155248;LS-156900

Chemical Property of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-

Chemical Property:

• Vapor Pressure: 2.95E-16mmHg at 25°C
• Boiling Point: 620.5°C at 760 mmHg
• Flash Point: 329.1°C
• Density: 1.82g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 318.04227599
• Heavy Atom Count: 22
• Complexity: 491

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NN2C(=NN=C2S1)C3=CC4=C(C=C3)OCO4)CC(=O)O