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| CAS No.: | 6201-86-1 |
|---|---|
| Name: | 3-AMINO-5-SULFOSALICYLIC ACID |
| Molecular Structure: | |
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| Formula: | C7H7NO6S |
| Molecular Weight: | 233.202 |
| Synonyms: | Salicylicacid, 3-amino-5-sulfo- (7CI,8CI);3-Amino-2-hydroxy-5-sulfobenzoic acid;3-Amino-4-hydroxy-5-carboxybenzenesulfonic acid;3-Amino-5-sulfosalicylic acid; |
| EINECS: | 228-261-8 |
| Density: | 1.858 g/cm3 |
| PSA: | 146.30000 |
| LogP: | 1.58130 |
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- Total:25 Page 1 of 1 1
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Specification
The Benzoic acid, 3-amino-2-hydroxy-5-sulfo-, with the CAS registry number of 6201-86-1, is also known as 3-Amino-5-sulphosalicylicacid and o-Aminosulfosalicylic acid. Its EINECS registry number is 228-261-8. This chemical's molecular formula is C7H7NO6S and molecular weight is 233.2. What's more, its IUPAC name is 3-Amino-2-hydroxy-5-sulfobenzoic acid. Besides, it can be used in the spectrofluorimetric determination of Aluminum.
Physical properties about Benzoic acid, 3-amino-2-hydroxy-5-sulfo- are: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.17; (4)ACD/LogD (pH 7.4): -6.3; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 90.52 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 48.52 cm3; (15)Molar Volume: 125.4 cm3; (16)Polarizability: 19.23×10-24 cm3; (17)Surface Tension: 107.4 dyne/cm; (18)Density: 1.858 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1cc(C(=O)O)c(O)c(N)c1
(2) InChI: InChI=1/C7H7NO6S/c8-5-2-3(15(12,13)14)1-4(6(5)9)7(10)11/h1-2,9H,8H2,(H,10,11)(H,12,13,14)
(3) InChIKey: ZLTOYIGWKLTQBJ-UHFFFAOYAG