PAR extrapure, 99%

CAT: 0565-59196-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0565-59196-02Size:5 g

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Description

Part B

CAS Number

16593-81-0

Storage Temperature

Room Temperature

Chemical Information

Sodium 4-(2-pyridylazo)resorcinol monohydrate

CAS Number	16593-81-0
PubChem CID	135442939
IUPAC Name	sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate
Molecular Formula	C11H10N3NaO3
Molecular Weight	255.20
Topological Polar Surface Area	81.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	253

SMILES

C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)[O-])O.O.[Na+]

InChI

InChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;1H2/q;+1;/p-1

InChIKey

KMHFHNVYQMFVAN-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 16593-81-0

CID: 135442939

Formula: C11H10N3NaO3

MW: 255.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.20
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	255.06198547
Monoisotopic Mass	255.06198547
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	253
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	3
Compound Is Canonicalized	Yes

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