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Orange I

CAT: 0013-GTR19244129-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244129-01Size:500 mg
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Description
Orange I (α-Naphthol Orange) is an organic azo dye used as a food dye.
CAS Number
523-44-4
Purity
>98% (HPLC)
Smiles
O=S ([O-]) (C1=CC=C (C=C1) N=NC2=CC=C (C3=C2C=CC=C3) O) =O.[Na+]
Molecular Formula
C16H11N2NaO4S
Molecular Weight
350.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)

CI Acid Orange 20 is an organic molecular entity.

CAS Number523-44-4
PubChem CID135513128
IUPAC Namesodium 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
Molecular FormulaC16H11N2NaO4S
Molecular Weight350.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity529
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1
InChIKey
AZLXCBPKSXFMET-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CAS: 523-44-4
CID: 135513128
Formula: C16H11N2NaO4S
MW: 350.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass350.03372229
Monoisotopic Mass350.03372229
Topological Polar Surface Area111 Ų
Heavy Atom Count24
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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