4-methyl-1-oxo-1H-isochromene-3-carboxylic acid

Base Information

• Chemical Name: 4-methyl-1-oxo-1H-isochromene-3-carboxylic acid
• CAS No.: 56661-74-6
• Molecular Formula: C₁₁H₈O₄
• Molecular Weight: 204.182
• DSSTox Substance ID: DTXSID40495890
• Wikidata: Q82344301

Synonyms:56661-74-6;4-methyl-1-oxo-1H-isochromene-3-carboxylic acid;4-methyl-1-oxoisochromene-3-carboxylic acid;4-Methyl-1-oxo-1H-2-benzopyran-3-carboxylic acid;SCHEMBL10712200;DTXSID40495890;PDPBEHRWSYREIE-UHFFFAOYSA-N;4-Methylisocoumarin-3-carboxylic acid;AKOS022647729;4-methyl-isocoumarin-3-carboxylic acid;4-Methylisocoumarin -3- carboxylic acid;EN300-269294;4-methyl-1-oxo-1H-isochromene-3-carboxylicacid;Z1508929166

Chemical Property of 4-methyl-1-oxo-1H-isochromene-3-carboxylic acid

Chemical Property:

• PSA: 67.51000
• LogP: 1.79960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.04225873
• Heavy Atom Count: 15
• Complexity: 343

Purity/Quality:

4-Methyl-1-oxo-1H-isochromene-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=O)C2=CC=CC=C12)C(=O)O

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