EthylCoumarin-3-carboxylate

Catalog Number

ACM1846760

CAS

1846-76-0

Structure

Synonyms

Ethyl2-oxo-2H-chromene-3-carboxylate;3-Ethoxycarbonylcoumarin;Ethyl3-coumarincarboxylate

IUPAC Name

Ethyl2-oxochromene-3-carboxylate

Molecular Weight

218.21

Molecular Formula

C12H10O4

Canonical SMILES

CCOC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3

InChI Key

XKHPEMKBJGUYCM-UHFFFAOYSA-N

Boiling Point

278.88 °C

Melting Point

94 °C

Purity

≥97%

Density

1.1096 g/ml

Appearance

Powder or solid

Storage

-20 °C in the dark

• Catalog Number: ACM1846760
• CAS: 1846-76-0
• Synonyms: Ethyl2-oxo-2H-chromene-3-carboxylate;3-Ethoxycarbonylcoumarin;Ethyl3-coumarincarboxylate
• IUPAC Name: Ethyl2-oxochromene-3-carboxylate
• Molecular Weight: 218.21
• Molecular Formula: C12H10O4
• Canonical SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O
• InChI: InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
• InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N
• Boiling Point: 278.88 °C
• Melting Point: 94 °C
• Purity: ≥97%
• Density: 1.1096 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark