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98-48-6

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Basic Information
CAS No.: 98-48-6
Name: benzene-1,3-disulphonic acid
Article Data: 34
Molecular Structure:
Molecular Structure of 98-48-6 (benzene-1,3-disulphonic acid)
Formula: C6H6O6S2
Molecular Weight: 238.242
Synonyms: m-Benzenedisulfonicacid (6CI,8CI);
EINECS: 202-672-2
Density: 1.764 g/cm3
Melting Point: 136.0 °C
PSA: 125.50000
LogP: 2.34160
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Specification

This chemical is called 1,3-Benzenedisulfonic acid, and it can also be named as Benzene-1,3-disulphonic acid. With the molecular formula of C6H6O6S2, its molecular weight is 238.24. The CAS registry number of this chemical is 98-48-6.  

Other characteristics of the 1,3-Benzenedisulfonic acid can be summarised as followings: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.76; (4)ACD/LogD (pH 7.4): -4.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 47.45 cm3; (15)Molar Volume: 134.9 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 73.4 dyne/cm; (18)Density: 1.764 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(O)c1cccc(c1)S(=O)(=O)O
2.InChI: InChI=1/C6H6O6S2/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)
3.InChIKey: WRUAHXANJKHFIL-UHFFFAOYAD