4-Methylesculetin

• Catalog Number: ACM529840
• Product Name: 4-Methylesculetin
• CAS: 529-84-0
• Category: Main Products
• Synonyms: 4-Methylesculetin; 6,7-dihydroxy-4-methylchromen-2-one; 6,7-Dihydroxy-4-methylcoumarin; 6,7-Dihydroxy-4-methyl-2H-chromen-2-one
• IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one
• Molecular Weight: 192.17
• Molecular Formula: C10H8O4
• Canonical SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O
• InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N
• Boiling Point: 455.5ºC at 760 mmHg
• Melting Point: 274-276ºC
• Flash Point: 190.7ºC
• Density: 1.456 g/cm³
• Appearance: Yellow needle crystal
• EC Number: 208-470-0
• Exact Mass: 192.04200
• Hazard Statements: Xi: Irritant
• Safety Description: S24/25
• WGK Germany: 2

Custom Q&A

What is the molecular formula of 4-Methylesculetin?

The molecular formula of 4-Methylesculetin is C10H8O4.

What is the molecular weight of 4-Methylesculetin?

The molecular weight of 4-Methylesculetin is 192.17 g/mol.

What are the synonyms of 4-Methylesculetin?

The synonyms of 4-Methylesculetin are 6,7-DIHYDROXY-4-METHYLCOUMARIN and Methylesculetin.

What is the IUPAC name of 4-Methylesculetin?

The IUPAC name of 4-Methylesculetin is 6,7-dihydroxy-4-methylchromen-2-one.

What is the InChI representation of 4-Methylesculetin?

The InChI representation of 4-Methylesculetin is InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3.

What is the InChIKey of 4-Methylesculetin?

The InChIKey of 4-Methylesculetin is KVOJTUXGYQVLAJ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Methylesculetin?

The canonical SMILES of 4-Methylesculetin is CC1=CC(=O)OC2=CC(=C(C=C12)O)O.

What is the CAS number of 4-Methylesculetin?

The CAS number of 4-Methylesculetin is 529-84-0.

How many hydrogen bond donor counts does 4-Methylesculetin have?

4-Methylesculetin has 2 hydrogen bond donor counts.

What is the topological polar surface area of 4-Methylesculetin?

The topological polar surface area of 4-Methylesculetin is 66.8 Ų.