Methyl Orange Indicator

CAT: 1507-173500500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-173500500Size:500 mg

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CAS Number

547-58-0

HSN Code

29270090

Chemical Information

C.I. Acid Orange 52

See also: Methyl Orange (annotation moved to) ... View More ...

CAS Number	547-58-0
PubChem CID	23673835
IUPAC Name	sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
Molecular Formula	C14H14N3NaO3S
Molecular Weight	327.34
Topological Polar Surface Area	93.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	448

SMILES

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

InChI

InChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1

InChIKey

STZCRXQWRGQSJD-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 547-58-0

CID: 23673835

Formula: C14H14N3NaO3S

MW: 327.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.34
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	327.06535677
Monoisotopic Mass	327.06535677
Topological Polar Surface Area	93.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	448
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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