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| CAS No.: | 4095-82-3 |
|---|---|
| Name: | 1-AMINO ANTHRAQUINONE-5-SULFONIC ACID SODIUM SALT |
| Molecular Structure: | |
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| Formula: | C14H9NO5S |
| Molecular Weight: | 303.295 |
| Synonyms: | 1-Aminoanthraquinone-5-sulfonicacid; |
| EINECS: | 223-845-9 |
| Density: | 1.647 g/cm3 |
| PSA: | 125.74000 |
| LogP: | 2.61030 |
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Specification
The CAS register number of 1-Aminoanthraquinone-5-sulfonic acid sodium salt is 4095-82-3. It also can be called as 5-Amino-9,10-dihydro-9,10-dioxoanthracenesulphonic acid and the IUPAC name about this chemical is 5-amino-9,10-dioxoanthracene-1-sulfonic acid. The molecular formula about this chemical is C14H9NO5S and molecular weight is 325.27.
Physical properties about 1-Aminoanthraquinone-5-sulfonic acid sodium salt are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): -1.9; (3)ACD/LogD (pH 7.4): -1.9; (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: 2; (11)Polar Surface Area: 89.13Å2; (12)Index of Refraction: 1.721; (13)Molar Refractivity: 72.86 cm3; (14)Molar Volume: 184.1 cm3; (15)Polarizability: 28.88x10-24cm3; (16)Surface Tension: 84.1 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c3c2C(=O)c1cccc(c1C(=O)c2ccc3)N
(2)InChI: InChI=1/C14H9NO5S/c15-9-5-1-3-7-11(9)13(16)8-4-2-6-10(21(18,19)20)12(8)14(7)17/h1-6H,15H2,(H,18,19,20)
(3)InChIKey: BEQOZTJJZZOVBR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H9NO5S/c15-9-5-1-3-7-11(9)13(16)8-4-2-6-10(21(18,19)20)12(8)14(7)17/h1-6H,15H2,(H,18,19,20)
(5)Std. InChIKey: BEQOZTJJZZOVBR-UHFFFAOYSA-N