Coumarin 7

• Catalog Number: ACM27425554-2
• Product Name: Coumarin 7
• CAS: 27425-55-4
• Category: Main Products
• Synonyms: 3-(2-Benzimidazolyl)-7-(diethylamino)coumarin
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one
• Molecular Weight: 333.38
• Molecular Formula: C20H19N3O2
• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3
• InChI: InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
• InChI Key: GOLORTLGFDVFDW-UHFFFAOYSA-N
• Boiling Point: 470.35 °C
• Melting Point: 234 - 237 °C
• Flash Point: 318ºC
• Density: 1.2071 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark
• Exact Mass: 333.14800
• LogP: 4.18250
• PSA: 62.13000
• Refractive Index: 1.692
• Symbol: GHS07
• Vapor Pressure: 1.85E-14mmHg at 25°C

Custom Q&A

What is the molecular formula of coumarin 7?

The molecular formula of coumarin 7 is C20H19N3O2.

What is the molecular weight of coumarin 7?

The molecular weight of coumarin 7 is 333.4 g/mol.

What is the IUPAC name of coumarin 7?

The IUPAC name of coumarin 7 is 3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one.

What is the InChI of coumarin 7?

The InChI of coumarin 7 is InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22).

What is the InChIKey of coumarin 7?

The InChIKey of coumarin 7 is GOLORTLGFDVFDW-UHFFFAOYSA-N.

What is the canonical SMILES of coumarin 7?

The canonical SMILES of coumarin 7 is CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3.

What is the CAS number of coumarin 7?

The CAS number of coumarin 7 is 27425-55-4.

What is the UNII of coumarin 7?

The UNII of coumarin 7 is VX3Q255SG5.

What is the topological polar surface area of coumarin 7?

The topological polar surface area of coumarin 7 is 58.2 ?2.