6-(1-Hydroxyethyl)-3-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one

Base Information

• Chemical Name: 6-(1-Hydroxyethyl)-3-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
• CAS No.: 61776-47-4
• Molecular Formula: C12H10N4O3
• ChEMBL ID: CHEMBL3228632
• DSSTox Substance ID: DTXSID70605985
• Mol file: 61776-47-4.mol

Synonyms:61776-47-4;CHEMBL3228632;DTXSID70605985;OAFIIBPLAUXRPK-UHFFFAOYSA-N;6-(1-hydroxyethyl)-3-(1H-tetrazol-5-yl)chromone;6-(1-Hydroxyethyl)-3-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one

Chemical Property of 6-(1-Hydroxyethyl)-3-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 258.07529019
• Heavy Atom Count: 19
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)OC=C(C2=O)C3=NNN=N3)O