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9H-Xanthene-2-carboxylic acid, 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo-

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Name

9H-Xanthene-2-carboxylic acid, 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo-

EINECS 217-431-7
CAS No. 58761-87-8 Density 1.33 g/cm3
PSA 116.81000 LogP 5.76810
Solubility N/A Melting Point N/A
Formula C21H23NO5S Boiling Point 609.2 °C at 760 mmHg
Molecular Weight 401.483 Flash Point 322.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58761-87-8 (Sodium lauryl sulfoacetate) Hazard Symbols N/A
Synonyms

RU 31122;Sudexanox;

 

9H-Xanthene-2-carboxylic acid, 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo- Specification

This chemical is called 9H-Xanthene-2-carboxylic acid, 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo-, and it can also be named as 5-Hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylic acid. With the molecular formula of C21H23NO5S, its molecular weight is 401.48. The CAS registry number of this chemical is 58761-87-8.

Other characteristics of the 9H-Xanthene-2-carboxylic acid, 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo- can be summarised as followings: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 90.41 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 106.07 cm3; (9)Molar Volume: 301.3 cm3; (10)Polarizability: 42.05×10-24cm3; (11)Surface Tension: 50.8 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 322.2 °C; (14)Enthalpy of Vaporization: 95.15 kJ/mol; (15)Boiling Point: 609.2 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2cc1C(=O)c3cc(cc(c3Oc1cc2)CCCCCC)S(=O)(=N)C
2.InChI: InChI=1/C21H23NO5S/c1-3-4-5-6-7-13-10-15(28(2,22)26)12-17-19(23)16-11-14(21(24)25)8-9-18(16)27-20(13)17/h8-12,22H,3-7H2,1-2H3,(H,24,25)
3.InChIKey: DIGXMFZQXQUVMR-UHFFFAOYAE

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