CAS No.1047724-24-2,2-(2-(Methylsulfonamido)phenyl)acetic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1047724-24-2
Name:	2-(2-(Methylsulfonamido)phenyl)acetic Acid

Formula:	C₉H₁₁NO₄S
Molecular Weight:	229.25
Synonyms:	{2-[(Methylsulfonyl)amino]phenyl}acetic acid;2-(2-(Methylsulfonamido)phenyl)acetic acid;
Density:	1.456 g/cm³
Boiling Point:	421.7 °C at 760 mmHg
Flash Point:	208.8 °C
PSA:	91.85000
LogP:	1.83900

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Specification

The Benzeneacetic acid, 2-[(methylsulfonyl)amino]-, with the CAS registry number 1047724-24-2, is also known as 2-(2-(Methylsulfonamido)phenyl)acetic acid. It belongs to the product category of Acids and Derivatives. This chemical's molecular formula is C₉H₁₁NO₄S and molecular weight is 229.25. What's more, its systematic name is {2-[(methylsulfonyl)amino]phenyl}acetic acid.

Physical properties of Benzeneacetic acid, 2-[(methylsulfonyl)amino]- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 91.85 Å²; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 54.75 cm³; (13)Molar Volume: 157.3 cm³; (14)Polarizability: 21.7×10^-24cm³; (15)Surface Tension: 65.5 dyne/cm; (16)Density: 1.456 g/cm³; (17)Flash Point: 208.8 °C; (18)Enthalpy of Vaporization: 71.24 kJ/mol; (19)Boiling Point: 421.7 °C at 760 mmHg; (20)Vapour Pressure: 7.26E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(C)(=O)Nc1ccccc1CC(O)=O
(2)InChI: InChI=1/C9H11NO4S/c1-15(13,14)10-8-5-3-2-4-7(8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
(3)InChIKey: XFQVSOVZZYQXDH-UHFFFAOYAG