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CAS No.: | 83-65-8 |
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Name: | 4,5-dihydroxynaphthalene-1-sulphonic acid |
Molecular Structure: | |
Formula: | C10H8O5S |
Molecular Weight: | 240.237 |
Synonyms: | 1,8-Dihydroxynaphthalene-4-sulfonic acid; |
EINECS: | 201-492-1 |
Density: | 1.677 g/cm3 |
PSA: | 103.21000 |
LogP: | 2.57850 |
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The 1-Naphthalenesulfonicacid, 4,5-dihydroxy-, with the CAS registry number 83-65-8, is also known as 1,8-Dihydroxynaphthalene-4-sulfonic acid. Its EINECS registry number is 201-492-1. This chemical's molecular formula is C10H8O5S and molecular weight is 240.2325. What's more, its systematic name is called 4,5-Dihydroxynaphthalene-1-sulfonic acid.
Physical properties about 1-Naphthalenesulfonicacid, 4,5-dihydroxy- are: (1)ACD/LogP: -1.23; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.12; (4)ACD/LogD (pH 7.4): -5.71; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.21Å2; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 57.71 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 22.88×10-24 cm3; (17)Surface Tension: 85.6 dyne/cm; (18)Density: 1.677 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1ccc(O)c2c1cccc2O
(2) InChI: InChI=1/C10H8O5S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5,11-12H,(H,13,14,15)
(3) InChIKey: DBTLNKQGKRKJBT-UHFFFAOYAC