1-Oxo-3-phenyl-3,4-dihydro-1H-isochromene-4-carboxylic acid
[CAS 68204-74-0]

Identification

• Name: 1-Oxo-3-phenyl-3,4-dihydro-1H-isochromene-4-carboxylic acid
• Synonyms: 1-Oxo-3-phenyl-3,4-dihydro-1H-isochromene-4-carboxylic acid; 1-OXO-3-PHENYL-3,4-DIHYDRO-1H-ISOCHROMENE-4-CARBOXYLICACID; 1-oxo-3-phenylisochroman-4-carboxylic acid
• Molecular Formula: C₁₆H₁₂O₄
• Molecular Weight: 268.26
• CAS Registry Number: 68204-74-0
• SMILES: O=C2OC(c1ccccc1)C(c3ccccc23)C(=O)O
• InChI: 1S/C16H12O4/c17-15(18)13-11-8-4-5-9-12(11)16(19)20-14(13)10-6-2-1-3-7-10/h1-9,13-14H,(H,17,18)
• InChIKey: JBFZOPKAXVDCAT-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Melting point: 185-187°C (Expl.)
• Boiling point: 495.202°C at 760 mmHg (Cal.)
• Flash point: 190.082°C (Cal.)

Safety Data

• Safety Description: IRRITANT