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CAS No.: | 98-48-6 |
---|---|
Name: | benzene-1,3-disulphonic acid |
Article Data: | 34 |
Molecular Structure: | |
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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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