Coumarin-3-carbonitrile

Catalog Number

ACM15119343-1

CAS

15119-34-3

Structure

Synonyms

2-oxo-2H-chromene-3-carbonitrile

IUPAC Name

2-oxochromene-3-carbonitrile

Molecular Weight

171.16

Molecular Formula

C10H5NO2

Canonical SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C#N

InChI

InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H

InChI Key

QKJALQPLNMEDAV-UHFFFAOYSA-N

Boiling Point

350.7 ± 21.0 °C

Melting Point

184.0 - 188.0 °C

Purity

≥97%

Density

1.34 ± 0.1 g/ml

Appearance

Powder or solid

Storage

-20 °C in the dark

• Catalog Number: ACM15119343-1
• CAS: 15119-34-3
• Synonyms: 2-oxo-2H-chromene-3-carbonitrile
• IUPAC Name: 2-oxochromene-3-carbonitrile
• Molecular Weight: 171.16
• Molecular Formula: C10H5NO2
• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C#N
• InChI: InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
• InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N
• Boiling Point: 350.7 ± 21.0 °C
• Melting Point: 184.0 - 188.0 °C
• Purity: ≥97%
• Density: 1.34 ± 0.1 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark