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585-38-6

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Basic Information
CAS No.: 585-38-6
Name: m-hydroxybenzenesulphonic acid
Article Data: 13
Molecular Structure:
Molecular Structure of 585-38-6 (m-hydroxybenzenesulphonic acid)
Formula: C6H6O4S
Molecular Weight: 174.177
Synonyms: Benzenesulfonicacid, m-hydroxy- (8CI);3-Hydroxybenzenesulfonic acid;NSC 508884;Phenol-3-sulfonic acid;m-Hydroxybenzenesulfonic acid;m-Phenolsulfonic acid;
EINECS: 209-555-5
Density: 1.574 g/cm3
PSA: 82.98000
LogP: 1.71970
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Specification

The CAS registry number of Benzenesulfonic acid,3-hydroxy- is 585-38-6. This chemical is also named as m-Hydroxybenzenesulphonic acid. Its EINECS registry number is 209-555-5. In addition, its molecular formula is C6H6O4S and molecular weight is 174.17444. Its systematic name and IUPAC name are the same which is called 3-hydroxybenzenesulfonic acid.

Physical properties about Benzenesulfonic acid,3-hydroxy- are: (1)ACD/LogP: -1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.91; (4)ACD/LogD (pH 7.4): -4.91; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 38.63 cm3; (14)Molar Volume: 110.6 cm3; (15)Surface Tension: 66.1 dyne/cm; (16)Density: 1.574 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc(O)c1
(2)InChI: InChI=1/C6H6O4S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H,8,9,10)
(3)InChIKey: ZCLXQTGLKVQKFD-UHFFFAOYAX