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115241-94-6

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Basic Information
CAS No.: 115241-94-6
Name: (QUINOLINE-8-SULFONYLAMINO)-ACETIC ACID
Molecular Structure:
Molecular Structure of 115241-94-6 ((QUINOLINE-8-SULFONYLAMINO)-ACETIC ACID)
Formula: C11H10N2O4S
Molecular Weight: 266.2731
Synonyms: N-(Quinolin-8-ylsulfonyl)glycine;
Density: 1.491 g/cm3
Melting Point: 129 °C
Boiling Point: 537.3 °C at 760 mmHg
Flash Point: 278.7 °C
Hazard Symbols: Xi
PSA: 104.74000
LogP: 2.06940
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Specification

The Glycine, N-(8-quinolinylsulfonyl)-, with the CAS registry number 115241-94-6, is also known as (Quinoline-8-sulfonylamino)acetic acid. This chemical's molecular formula is C11H10N2O4S and molecular weight is 266.2731. What's more, its systematic name is N-(Quinolin-8-ylsulfonyl)glycine.

Physical properties about Glycine, N-(8-quinolinylsulfonyl)- are: (1)ACD/LogP: 0.48; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 84.95 Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 65.48 cm3; (13)Molar Volume: 178.4 cm3; (14)Polarizability: 25.96×10-24 cm3; (15)Surface Tension: 68.9 dyne/cm; (16)Density: 1.491 g/cm3; (17)Flash Point: 278.7 °C; (18)Enthalpy of Vaporization: 85.69 kJ/mol; (19)Boiling Point: 537.3 °C at 760 mmHg; (20)Vapour Pressure: 2.25E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CNS(=O)(=O)c1cccc2cccnc12
(2) InChI: InChI=1/C11H10N2O4S/c14-10(15)7-13-18(16,17)9-5-1-3-8-4-2-6-12-11(8)9/h1-6,13H,7H2,(H,14,15)
(3) InChIKey: SRSWCYQJDZNZEC-UHFFFAOYAX