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46376-16-3

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Basic Information
CAS No.: 46376-16-3
Name: PHENYLSULFONYL-SAR-OH
Article Data: 2
Molecular Structure:
Molecular Structure of 46376-16-3 (PHENYLSULFONYL-SAR-OH)
Formula: C9H11NO4S
Molecular Weight: 229.257
Synonyms: Sarcosine,N-(phenylsulfonyl)- (6CI);N-(Phenylsulfonyl)sarcosine;
Density: 1.38 g/cm3
Boiling Point: 416 °C at 760 mmHg
Flash Point: 205.4 °C
PSA: 83.06000
LogP: 1.47250
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Specification

The Glycine, N-methyl-N-(phenylsulfonyl)-, with the CAS registry number 46376-16-3, is also known as N-(Phenylsulfonyl)sarcosine. This chemical's molecular formula is C9H11NO4S and molecular weight is 229.25. What's more, its systematic name is N-Methyl-N-(phenylsulfonyl)glycine. In addition, it must be stored at 2-8 °C.

Physical properties about Glycine, N-methyl-N-(phenylsulfonyl)- are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): -2.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.06 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 54.99 cm3; (15)Molar Volume: 166.1 cm3; (16)Polarizability: 21.8×10-24 cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 205.4 °C; (20)Enthalpy of Vaporization: 70.55 kJ/mol; (21)Boiling Point: 416 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N(CC(=O)O)C)c1ccccc1
(2) InChI: InChI=1/C9H11NO4S/c1-10(7-9(11)12)15(13,14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
(3) InChIKey: XQGWHYCLQRSQSQ-UHFFFAOYAP