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Basic Information
CAS No.: 100637-60-3
Name: (3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL)ACETIC ACID
Molecular Structure:
Molecular Structure of 100637-60-3 ((3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL)ACETIC ACID)
Formula: C10H9NO3S
Molecular Weight: 223.2484
Synonyms: ZINC00266807;
Density: 1.435 g/cm3
Boiling Point: 535 °C at 760 mmHg
Flash Point: 277.4 °C
PSA: 82.91000
LogP: 1.27490
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Specification

The 4H-1,4-Benzothiazine-4-aceticacid, 2,3-dihydro-3-oxo-, with the CAS registry number 100637-60-3, is also known as ZINC00266807. This chemical's molecular formula is C10H9NO3S and molecular weight is 223.2484. Its systematic name is called (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid.

Physical properties of 4H-1,4-Benzothiazine-4-aceticacid, 2,3-dihydro-3-oxo-: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): -1.02; (3)ACD/LogD (pH 7.4): -2.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 56.56 cm3; (13)Molar Volume: 155.4 cm3; (14)Surface Tension: 63.3 dyne/cm; (15)Density: 1.435 g/cm3; (16)Flash Point: 277.4 °C; (17)Enthalpy of Vaporization: 85.4 kJ/mol; (18)Boiling Point: 535 °C at 760 mmHg; (19)Vapour Pressure: 2.81E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1c2c(SCC1=O)cccc2
(2)InChI: InChI=1/C10H9NO3S/c12-9-6-15-8-4-2-1-3-7(8)11(9)5-10(13)14/h1-4H,5-6H2,(H,13,14)
(3)InChIKey: JLTWTIZTEXPRTI-UHFFFAOYAJ