3-Methyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-2-carboxylic acid

• Catalog Number: ACMA00002066
• Category: Ethers
• Molecular Weight: 194.18
• Molecular Formula: C₁₀H₁₀O₃
• Hazard Statements: H319-H411
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H10O4.

What are the synonyms of the compound?

The synonyms of the compound are 112579-43-8, 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid, 3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid, and 3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 194.18 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C10H10O4/c1-5-8-6(11)3-2-4-7(8)14-9(5)10(12)13/h2-4H2,1H3,(H,12,13).

What are the computed properties of the compound?

The computed properties of the compound include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.3.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.