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10252-64-9

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Basic Information
CAS No.: 10252-64-9
Name: 4-[(ETHYLAMINO)SULFONYL]BENZOIC ACID
Molecular Structure:
Molecular Structure of 10252-64-9 (4-[(ETHYLAMINO)SULFONYL]BENZOIC ACID)
Formula: C9H11NO4S
Molecular Weight: 229.257
Synonyms: Benzoicacid, p-(ethylsulfamoyl)- (7CI,8CI);4-Ethylsulfamoylbenzoic acid;
Density: 1.356 g/cm3
Boiling Point: 412.3 °C at 760 mmHg
Flash Point: 203.2 °C
PSA: 91.85000
LogP: 2.15470
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Specification

The Benzoicacid, 4-[(ethylamino)sulfonyl]-, with the CAS registry number 10252-64-9, is also known as 4-[(Ethylamino)sulfonyl]benzoic acid. This chemical's molecular formula is C9H11NO4S and molecular weight is 229.25. What's more, its systematic name is 4-(Ethylsulfamoyl)benzoic acid.

Physical properties of Benzoicacid, 4-[(ethylamino)sulfonyl]- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.06 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 54.75 cm3; (15)Molar Volume: 169 cm3; (16)Polarizability: 21.7×10-24 cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.356 g/cm3; (19)Flash Point: 203.2 °C; (20)Enthalpy of Vaporization: 70.11 kJ/mol; (21)Boiling Point: 412.3 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NCC)c1ccc(C(=O)O)cc1
(2)InChI: InChI=1/C9H11NO4S/c1-2-10-15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
(3)InChIKey: SKSHUBLFLCCPLP-UHFFFAOYAT