CAS No.61702-42-9,3-AMINO-5-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID MONOSODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61702-42-9
Name:	3-AMINO-5-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID MONOSODIUM SALT

Formula:	C₁₀H₈NNaO₇S₂
Molecular Weight:	341.29
Synonyms:	2,7-Naphthalenedisulfonicacid, 3-amino-5-hydroxy-, monosodium salt (9CI);3-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt;
EINECS:	262-913-2
Density:	1.88 g/cm³
PSA:	174.58000
LogP:	3.02120

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Specification

The 3-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt with the CAS number 61702-42-9 is also called 2,7-Naphthalenedisulfonicacid, 3-amino-5-hydroxy-, sodium salt (1:1). The systematic name is sodium 3-amino-5-hydroxy-7-sulfonaphthalene-2-sulfonate. Its molecular formula is C₁₀H₈NNaO₇S₂. The EINECS registry number is 262-913-2.

Properties Computed from Structure: (1)H-Bond Donor: 4; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 2; (5)Exact Mass: 341.971813; (6)MonoIsotopic Mass: 341.971813; (7)Topological Polar Surface Area: 172; (8)Heavy Atom Count: 21; (9)Formal Charge: 1; (10)Complexity: 561; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c1cc2cc(cc(O)c2cc1N)S(O)(=O)=O
(2)InChI: InChI=1/C10H9NO7S2.Na/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
(3)InChIKey: IYLBHLMEOLOIOH-REWHXWOFAZ