CAS No.90610-69-8,3-(4-SULFAMOYL-PHENYL)-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90610-69-8
Name:	3-(4-SULFAMOYL-PHENYL)-PROPIONIC ACID
Article Data:	2

Formula:	C₉H₁₁NO₄S
Molecular Weight:	229.257
Synonyms:	Hydrocinnamicacid, p-sulfamoyl- (7CI);3-(4-Sulfamoylphenyl)propionic acid;
Density:	1.412 g/cm³
Melting Point:	164-166 °C
Boiling Point:	459 °C at 760 mmHg
Flash Point:	231.4 °C
Hazard Symbols:	Xi
PSA:	105.84000
LogP:	2.13230

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Specification

The Benzenepropanoic acid,4-(aminosulfonyl)-, with the CAS registry number 90610-69-8, is also known as 3-[4-(Aminosulphonyl)phenyl]propanoic acid. It belongs to the product categories of Blocks; Carboxes; Sulfonamides. This chemical's molecular formula is C₉H₁₁NO₄S and molecular weight is 229.25. What's more, both its IUPAC name and systematic name are the same which is called 3-(4-Sulfamoylphenyl)propanoic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenepropanoic acid,4-(aminosulfonyl)- are: (1) ACD/LogP: -0.05; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.08; (4) ACD/LogD (pH 7.4): -2.88; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 2.11; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 72.06 Å²; (13) Index of Refraction: 1.589; (14) Molar Refractivity: 54.72 cm³; (15) Molar Volume: 162.3 cm³; (16) Surface Tension: 60.9 dyne/cm; (17) Density: 1.412 g/cm³; (18) Flash Point: 231.4 °C; (19) Enthalpy of Vaporization: 75.81 kJ/mol; (20) Boiling Point: 459 °C at 760 mmHg; (21) Vapour Pressure: 3.2E-09 mmHg at 25 °C; (22) Melting Point: 164-166 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)CCC(=O)O)N
(2) InChI: InChI=1/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
(3) InChIKey: JUEONDBIBADVGD-UHFFFAOYAN