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Tartrazine K

CAT: 0572-TRC-T724950-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T724950-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1934-22-1
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Smiles
O=C(C1=NN(C2=CC=C(S(=O)(O[Na])=O)C=C2)C(C1/N=N/C3=CC=CC=C3)=O)O[Na]
Molecular Formula
C16H10N4Na2O6S
Molecular Weight
432.32
InChI
InChI=1S/C16H12N4O6S.2Na/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27(24,25)26;;/h1-9,13H,(H,22,23)(H,24,25,26);;

Chemical Information

Disodium 4,5-dihydro-5-oxo-4-(phenylazo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
CAS Number1934-22-1
PubChem CID3014056
IUPAC Namedisodium;5-oxo-4-phenyldiazenyl-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Molecular FormulaC16H10N4Na2O6S
Molecular Weight432.3
Topological Polar Surface Area163
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity727
SMILES
C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C16H12N4O6S.2Na/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27(24,25)26;;/h1-9,13H,(H,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey
RIJCRHVARLHLQC-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium 4,5-dihydro-5-oxo-4-(phenylazo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
CAS: 1934-22-1
CID: 3014056
Formula: C16H10N4Na2O6S
MW: 432.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass432.01164379
Monoisotopic Mass432.01164379
Topological Polar Surface Area163 Ų
Heavy Atom Count29
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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