(5-Oxo-2-thiophen-2-yl-cyclopent-1-enyl)-acetic acid

Base Information

• Chemical Name: (5-Oxo-2-thiophen-2-yl-cyclopent-1-enyl)-acetic acid
• CAS No.: 436086-95-2
• Molecular Formula: C11H10 O3 S
• Molecular Weight: 222.26
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10350720
• Wikidata: Q82126804
• Mol file: 436086-95-2.mol

Synonyms:436086-95-2;(5-Oxo-2-thiophen-2-yl-cyclopent-1-enyl)-acetic acid;2-(5-Oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl)acetic acid;2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid;[5-oxo-2-(2-thienyl)cyclopent-1-en-1-yl]acetic acid;[5-oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl]acetic acid;2-[5-oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl]acetic acid;Oprea1_149056;SCHEMBL2474540;DTXSID10350720;MOYBSXOOZVYRTN-UHFFFAOYSA-N;HMS1681K16;STK278276;AKOS000300316;EU-0086861;FT-0676699;A872682;(5-Oxo-2-thiophen-2-yl-cyclopent-1-enyl)acetic acid;2-(5-Oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl)aceticacid;(5-oxo-2-thiophen-2-yl-cyclopent-1-enyl)-acetic acid, AldrichCPR

Chemical Property of (5-Oxo-2-thiophen-2-yl-cyclopent-1-enyl)-acetic acid

Chemical Property:

• Vapor Pressure: 1.55E-06mmHg at 25°C
• Boiling Point: 382.6°Cat760mmHg
• Flash Point: 185.2°C
• PSA: 82.61000
• Density: g/cm³
• LogP: 2.33930
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.03506535
• Heavy Atom Count: 15
• Complexity: 333

Purity/Quality:

99%min ^*data from raw suppliers

[5-oxo-2-(2-thienyl)cyclopent-1-en-1-yl]aceticAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C(=C1C2=CC=CS2)CC(=O)O