Name: 5-Hydroxy-1-naphthalenesulfonic acid sodium salt
SKU: 79873-34-0

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Basic Information

Molecular Structure:
CAS No.:	79873-34-0
Name:	5-Hydroxy-1-naphthalenesulfonic acid sodium salt

Formula:	C₁₀H₇NaO₄S
Molecular Weight:	246.21
Synonyms:	1-Naphthalenesulfonicacid, 5-hydroxy-, sodium salt (9CI);5-Hydroxynaphthalene-1-sulfonic acid sodiumsalt;
PSA:	85.81000
LogP:	2.53030

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Specification

The 5-Hydroxy-1-naphthalenesulfonic acid sodium salt, with cas registry number 79873-34-0, has the systematic name of sodium 5-hydroxynaphthalene-1-sulfonate. And its IUPAC name is the same one. Besides this, it is also called 1-naphthalenesulfonic acid, 5-hydroxy-, sodium salt (1:1).

Physical properties about this chemical are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.53; (4)ACD/LogD (pH 7.4): -2.55; (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)Polar Surface Area: 71.98 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c1cccc2c1cccc2O
(2)InChI: InChI=1/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
(3)InChIKey: HWQLBKMVMXBGRC-REWHXWOFAI
(4)Std. InChI: InChI=1S/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
(5)Std. InChIKey: HWQLBKMVMXBGRC-UHFFFAOYSA-M