4-(Nitrooxy)butyl 2-(acetyloxy)benzoate

Base Information

• Chemical Name: 4-(Nitrooxy)butyl 2-(acetyloxy)benzoate
• CAS No.: 171781-26-3
• DSSTox Substance ID: DTXSID001278187
• ChEMBL ID: CHEMBL3601280
• Mol file: 171781-26-3.mol

Synonyms:CHEMBL3601280;SCHEMBL5605205;DTXSID001278187;BDBM50106759;acetylsalicylic acid 4-nitroxybutylester;PD160592;4-(NITROOXY)BUTYL 2-(ACETYLOXY)BENZOATE;171781-26-3

Chemical Property of 4-(Nitrooxy)butyl 2-(acetyloxy)benzoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 297.08485182
• Heavy Atom Count: 21
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)OCCCCO[N+](=O)[O-]