4-(10-Oxo-4,10-dihydrothieno[3,2-c][1]benzoxepin-8-yl)butanoic acid
[CAS# 88358-30-9]

Identification

• Name: 4-(10-Oxo-4,10-dihydrothieno[3,2-c][1]benzoxepin-8-yl)butanoic acid
• Synonyms: 4-(4,10-dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid; 4-(4-Oxo-4,10-dihydro-9-oxa-3-thia-benzo[f]azulen-6-yl)-butyric acid; 4-Dobba
• Molecular Formula: C₁₆H₁₄O₄S
• Molecular Weight: 302.35
• CAS Registry Number: 88358-30-9
• SMILES: C1C2=C(C(=O)C3=C(O1)C=CC(=C3)CCCC(=O)O)SC=C2
• InChI: 1S/C16H14O4S/c17-14(18)3-1-2-10-4-5-13-12(8-10)15(19)16-11(9-20-13)6-7-21-16/h4-8H,1-3,9H2,(H,17,18)
• InChIKey: BRLXUMGWALKMST-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 553.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 288.6±30.1°C (Cal.)