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168890-59-3

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Basic Information
CAS No.: 168890-59-3
Name: 2-METHOXY-5-(MORPHOLINE-4-SULFONYL)-BENZOIC ACID
Molecular Structure:
Molecular Structure of 168890-59-3 (2-METHOXY-5-(MORPHOLINE-4-SULFONYL)-BENZOIC ACID)
Formula: C12H14NO6S
Molecular Weight: 300.3082
Synonyms: 2-METHOXY-5-(MORPHOLIN-4-YLSULFONYL)BENZOIC ACID;2-METHOXY-5-(MORPHOLINE-4-SULFONYL)-BENZOIC ACID;2-Methoxy-5-(Morpholinosulfonyl)benzoic acid
Boiling Point: 517.5 °C at 760 mmHg
Flash Point: 266.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 101.52000
LogP: 1.43300
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Specification

The 2-Methoxy-5-(morpholin-4-ylsulfonyl)benzoate is an organic compound with the formula C12H14NO6S. The IUPAC name of this chemical is 2-Methoxy-5-morpholin-4-ylsulfonylbenzoate. The CAS registry number of this chemical is 168890-59-3. Besides, its molecular weight is 300.3082.

Physical properties about 2-Methoxy-5-(morpholin-4-ylsulfonyl)benzoate are: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): -0.44; (3)ACD/LogD (pH 7.4): -1.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 101.52 Å2; (12)Flash Point: 266.8 °C; (13)Enthalpy of Vaporization: 83.15 kJ/mol; (14)Boiling Point: 517.5 °C at 760 mmHg; (15)Vapour Pressure: 1.55E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H15NO6S/c1-18-11-3-2-9(8-10(11)12(14)15)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)/p-1
(2)InChIKey: IJQQDWZRROHWPL-REWHXWOFAX
(3)Std. InChI: InChI=1S/C12H15NO6S/c1-18-11-3-2-9(8-10(11)12(14)15)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)/p-1
(4)Std. InChIKey: IJQQDWZRROHWPL-UHFFFAOYSA-M