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Methyl Orange

CAT: 0931-T20201-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T20201-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
547-58-0
Target
Others
Related Pathways
Others
Bioactivity
Methyl orange is a pH indicator frequently. It is used in titration because of its clear and distinct colour variance at different pH values.
Smiles
[Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(C=C2)N(C)C)C=C1
Molecular Formula
C14H14N3NaO3S
Molecular Weight
327.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C.I. Acid Orange 52

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

CAS Number547-58-0
PubChem CID23673835
IUPAC Namesodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
Molecular FormulaC14H14N3NaO3S
Molecular Weight327.34
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity448
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
2D structure of C.I. Acid Orange 52
CAS: 547-58-0
CID: 23673835
Formula: C14H14N3NaO3S
MW: 327.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight327.34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass327.06535677
Monoisotopic Mass327.06535677
Topological Polar Surface Area93.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
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