5,7-Dihydroxy-4-Methylcoumarin

Catalog Number

ACM2107768-1

CAS

2107-76-8

Structure

Synonyms

4-Methyllimetol

IUPAC Name

5,7-Dihydroxy-4-methylchromen-2-one

Molecular Weight

192.17

Molecular Formula

C10H8O4

Description

5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities.

Canonical SMILES

CC1=CC(=O)OC2=CC(=CC(=C12)O)O

InChI

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

InChI Key

QNVWGEJMXOQQPM-UHFFFAOYSA-N

Boiling Point

472.1±14.0 °C

Melting Point

296-299 °C(lit.)

Flash Point

197.8 °C

Purity

98%

Density

1.456±0.06 g/cm³

Solubility

Soluble in sodium hydroxide

Appearance

Solid

Storage

-20 °C Freezer, under inert atmosphere

pKa

7.29±0.20(Predicted)

• Catalog Number: ACM2107768-1
• CAS: 2107-76-8
• Synonyms: 4-Methyllimetol
• IUPAC Name: 5,7-Dihydroxy-4-methylchromen-2-one
• Molecular Weight: 192.17
• Molecular Formula: C10H8O4
• Description: 5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities.
• Canonical SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O
• InChI: InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
• InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N
• Boiling Point: 472.1±14.0 °C
• Melting Point: 296-299 °C(lit.)
• Flash Point: 197.8 °C
• Purity: 98%
• Density: 1.456±0.06 g/cm³
• Solubility: Soluble in sodium hydroxide
• Appearance: Solid
• Storage: -20 °C Freezer, under inert atmosphere
• pKa: 7.29±0.20(Predicted)