3-(1,3-Benzoxazol-2-yl)-2-oxo-2H-chromen-7-yl octanoate
[CAS# 97004-80-3]

Identification

• Name: 3-(1,3-Benzoxazol-2-yl)-2-oxo-2H-chromen-7-yl octanoate
• Synonyms: 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin; 3-(2-Benzoxazolyl)umbelliferyl octanoate
• Molecular Formula: C₂₄H₂₃NO₅
• Molecular Weight: 405.44
• CAS Registry Number: 97004-80-3
• SMILES: O=C(Oc4ccc\1c(OC(=O)/C(=C/1)c2nc3ccccc3o2)c4)CCCCCCC
• InChI: 1S/C24H23NO5/c1-2-3-4-5-6-11-22(26)28-17-13-12-16-14-18(24(27)30-21(16)15-17)23-25-19-9-7-8-10-20(19)29-23/h7-10,12-15H,2-6,11H2,1H3
• InChIKey: CKEGKXSZJKGMMN-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Melting point: 173-175°C (Expl.)
• Boiling point: 581.404°C at 760 mmHg (Cal.)
• Flash point: 305.423°C (Cal.)
• solubility: DMF, DMSO, Dioxane