5-[(5-Carboxypentyl)Carbamoyl]-2-(6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid
[CAS# 265981-56-4]

Identification

• Name: 5-[(5-Carboxypentyl)Carbamoyl]-2-(6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid
• Synonyms: 5-[(5-carboxypentyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid; FLUORESCEIN-5 -CARBOXAMIDOCAPROICACI&; FluorX 5-isomer
• Molecular Formula: C₂₇H₂₃NO₈
• Molecular Weight: 489.47
• CAS Registry Number: 265981-56-4
• SMILES: O=C(O)CCCCCNC(=O)c4ccc(C=1c3c(OC=2C=1\C=C/C(=O)C=2)cc(O)cc3)c(C(=O)O)c4
• InChI: 1S/C27H23NO8/c29-16-6-9-19-22(13-16)36-23-14-17(30)7-10-20(23)25(19)18-8-5-15(12-21(18)27(34)35)26(33)28-11-3-1-2-4-24(31)32/h5-10,12-14,29H,1-4,11H2,(H,28,33)(H,31,32)(H,34,35)
• InChIKey: HAKKVJHTMKXGOT-UHFFFAOYSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 836.572°C at 760 mmHg (Cal.)
• Flash point: 459.742°C (Cal.)
• Refractive index: 1.699 (Cal.)