1,3-Naphthalenedisulfonic Acid, 7-Hydroxy-, Potassium Salt (1:2)

CAS: 842-18-2 | C10H8K2O7S2

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CAS Registry Number: 842-18-2

Molecular Formula: C10H8K2O7S2

Molecular Mass: 382.50 g/mol

1,3-Naphthalenedisulfonic Acid, 7-Hydroxy-, Potassium Salt (1:2)

1,3-Naphthalenedisulfonic acid, 7-hydroxy-, potassium salt (1:2)

1,3-Naphthalenedisulfonic acid, 7-hydroxy-, dipotassium salt

2-Naphthol-6,8-disulfonic acid dipotassium salt

Dipotassium 2-naphthol-6,8-disulfonate

O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(O)ccc2c1.[K].[K]

InChI=1S/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	382.50 g/mol	CAS Common Chemistry
	382.497 g/mol	RDKit
	381.898557956 g/mol	RDKit
Canonical SMILES	[K].O=S(=O)(O)C1=CC2=CC=C(O)C=C2C(=C1)S(=O)(=O)O	CAS Common Chemistry
InChI	InChI=1S/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;	CAS Common Chemistry
InChI Key	InChIKey=RBMVXEVTYGMEIA-UHFFFAOYSA-N	CAS Common Chemistry
Name	1,3-Naphthalenedisulfonic acid, 7-hydroxy-, potassium salt (1:2)	CAS Common Chemistry
Heavy Atom Count	21	RDKit
Hydrogen Bond Acceptors	5	RDKit
Hydrogen Bond Donors	3	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	128.97 Å²	RDKit
LogP	0.27720000000000017	RDKit
Molar Refractivity	76.75000000000003	RDKit