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CAS No.: | 6361-41-7 |
---|---|
Name: | 2-Acetamido-8-naphthol-6-sufonic acid (N-acetyl gamma acid) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H11NO5S |
Molecular Weight: | 281.289 |
Synonyms: | 1-Naphthol-3-sulfonicacid, 7-acetamido- (6CI);2-Naphthalenesulfonic acid, 6-acetamido-4-hydroxy-(8CI);2-(Acetylamino)-8-hydroxy-6-naphthalenesulfonic acid;2-(Acetylamino)-8-hydroxy-6-sulfonaphthalene;6-Acetamido-4-hydroxy-2-naphthalenesulfonic acid;N-Acetyl-Gamma acid; |
EINECS: | 228-836-3 |
Density: | 1.581 g/cm3 |
PSA: | 112.08000 |
LogP: | 2.90430 |
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The 6-Acetamido-4-hydroxynaphthalene-2-sulphonic acid is an organic compound with the formula C12H11NO5S. The IUPAC name of this chemical is 6-acetamido-4-hydroxynaphthalene-2-sulfonic acid. With the CAS registry number 6361-41-7, it is also named as 2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-.
Physical properties about 6-Acetamido-4-hydroxynaphthalene-2-sulphonic acid are: (1)ACD/LogP: -1.32; (2)ACD/LogD (pH 5.5): -4.81; (3)ACD/LogD (pH 7.4): -4.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 81.29 Å2; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 69.21 cm3; (14)Molar Volume: 177.8 cm3; (15)Polarizability: 27.43×10-24cm3; (16)Surface Tension: 80.1 dyne/cm; (17)Density: 1.581 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2cc1ccc(cc1c(O)c2)NC(=O)C
(2)InChI: InChI=1/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(19(16,17)18)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17,18)
(3)InChIKey: YKVBYISUDGOVDM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(19(16,17)18)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17,18)
(5)Std. InChIKey: YKVBYISUDGOVDM-UHFFFAOYSA-N