3-[3-(Methoxycarbonyl)thiophen-2-yl]benzoic acid

Base Information

• Chemical Name: 3-[3-(Methoxycarbonyl)thiophen-2-yl]benzoic acid
• CAS No.: 893735-30-3
• Molecular Formula: C13H10 O3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20698761
• Wikidata: Q82629206
• Mol file: 893735-30-3.mol

Synonyms:Benzoic acid,3-(5-acetyl-2-thienyl)-;DTXSID20698761;3-[3-(Methoxycarbonyl)thiophen-2-yl]benzoic acid;3-(5-AMINOSULFONYLTHIOPHEN-2-YL)BENZOIC ACID

Chemical Property of 3-[3-(Methoxycarbonyl)thiophen-2-yl]benzoic acid

Chemical Property:

• PSA: 91.84000
• LogP: 2.89990
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 262.02997997
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC=C1)C2=CC(=CC=C2)C(=O)O