Sodium Naphthionate 98% Extrapure

CAT: 1507-02456 01000Size: 1 KgDry Ice: NoHazardous: No

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CAT#:1507-02456 01000Size:1 Kg

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CAS Number

130-13-2

Chemical Information

Sodium naphthionate

CAS Number	130-13-2
PubChem CID	23665720
IUPAC Name	sodium 4-aminonaphthalene-1-sulfonate
Molecular Formula	C10H8NNaO3S
Molecular Weight	245.23
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	327

SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1

InChIKey

JWSRMCCRAJUMLX-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 130-13-2

CID: 23665720

Formula: C10H8NNaO3S

MW: 245.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.23
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	245.01225857
Monoisotopic Mass	245.01225857
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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