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| CAS No.: | 58761-87-8 |
|---|---|
| Name: | Sodium lauryl sulfoacetate |
| Molecular Structure: | |
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| Formula: | C21H23NO5S |
| Molecular Weight: | 401.483 |
| Synonyms: | RU 31122;Sudexanox; |
| EINECS: | 217-431-7 |
| Density: | 1.33 g/cm3 |
| Boiling Point: | 609.2 °C at 760 mmHg |
| Flash Point: | 322.2 °C |
| PSA: | 116.81000 |
| LogP: | 5.76810 |
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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