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332163-01-6

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Basic Information
CAS No.: 332163-01-6
Name: 4,5-DIMETHOXY-2-[(THIOPHENE-2-CARBONYL)-AMINO]-BENZOIC ACID
Molecular Structure:
Molecular Structure of 332163-01-6 (4,5-DIMETHOXY-2-[(THIOPHENE-2-CARBONYL)-AMINO]-BENZOIC ACID)
Formula: C14H13NO5S
Molecular Weight: 307.327
Synonyms: 4,5-DIMETHOXY-2-[(THIOPHENE-2-CARBONYL)-AMINO]-BENZOIC ACID
Boiling Point: 395.2 °C at 760 mmHg
Flash Point: 192.8 °C
Hazard Symbols: IrritantXi
PSA: 113.10000
LogP: 2.78880
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Specification

The Benzoicacid, 4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]- is an organic compound with the formula C14H13NO5S. The IUPAC name of this chemical is 4,5-Dimethoxy-2-(thiophene-2-carbonylamino)benzoate. And the CAS registry number of this chemical is 332163-01-6. Besides, its molecular weight is 307.3143.

Physical properties about Benzoicacid, 4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]- are: (1)ACD/LogP: 3.47; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 5.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 37.38; (7)ACD/KOC (pH 7.4): 1.76; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 104.31 Å2; (12)Flash Point: 192.8 °C; (13)Enthalpy of Vaporization: 68.05 kJ/mol; (14)Boiling Point: 395.2 °C at 760 mmHg; (15)Vapour Pressure: 5.92E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H13NO5S/c1-19-10-6-8(14(17)18)9(7-11(10)20-2)15-13(16)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,16)(H,17,18)/p-1
(2)InChIKey: WKPFHYKDLARNCJ-REWHXWOFAP
(3)Std. InChI: InChI=1S/C14H13NO5S/c1-19-10-6-8(14(17)18)9(7-11(10)20-2)15-13(16)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,16)(H,17,18)/p-1
(4)Std. InChIKey: WKPFHYKDLARNCJ-UHFFFAOYSA-M