Acidyellow11

CAT: 0127-OR1028195-05Size: 10 KgDry Ice: NoHazardous: No

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CAT#:0127-OR1028195-05Size:10 Kg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

6359-82-6

Synonyms

Sodium;4- (3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl) benzenesulfonateÊÊ

Purity

IND

Smiles

CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Chemical Information

C.I. Acid Yellow 11, sodium salt

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CAS Number	6359-82-6
PubChem CID	23675339
IUPAC Name	sodium 4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate
Molecular Formula	C16H13N4NaO4S
Molecular Weight	380.4
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	662

SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);/q;+1/p-1

InChIKey

UDTJJVCMRRCRDB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 6359-82-6

CID: 23675339

Formula: C16H13N4NaO4S

MW: 380.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	380.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	380.05552036
Monoisotopic Mass	380.05552036
Topological Polar Surface Area	123 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	662
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1012210-01	Acidyellow17