Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl ester
• CAS No.: 171762-24-6
• Molecular Formula: C11H11NO5
• DSSTox Substance ID: DTXSID90455863
• Wikidata: Q82278018
• Mol file: 171762-24-6.mol

Synonyms:171762-24-6;Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl ester;SCHEMBL6886031;DTXSID90455863;MYKYJZKEODVSSR-UHFFFAOYSA-N;Allyl4-(Hydroxymethyl)-3-Nitrobenzoate;Allyl 4-(Hydroxymethyl)-3-Nitrobenzoate

Chemical Property of Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl ester

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.06372245
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)C1=CC(=C(C=C1)CO)[N+](=O)[O-]