2-oxo-2H-thiochromene-3-carboxylic acid

Base Information

• Chemical Name: 2-oxo-2H-thiochromene-3-carboxylic acid
• CAS No.: 66253-08-5
• Molecular Formula: C10H6O3S
• Molecular Weight: 206.222
• UNII: 5U9H5QRX4C
• ChEMBL ID: CHEMBL571519

Synonyms:2-oxo-2H-thiochromene-3-carboxylic acid;CHEMBL571519;66253-08-5;5U9H5QRX4C;SCHEMBL7679158;BDBM50303492;PD180643;2-Oxidanylidenethiochromene-3-carboxylic acid;2-Oxo-2H-1-benzothiopyran-3-carboxylic acid;2H-1-Benzothiopyran-3-carboxylic acid, 2-oxo-

Chemical Property of 2-oxo-2H-thiochromene-3-carboxylic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.00376522
• Heavy Atom Count: 14
• Complexity: 309

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)S2)C(=O)O

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