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Zincon MonoSodium Salt AR

CAT: 1507-02892 00005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1507-02892 00005Size:5 mg
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CAS Number
62625-22-3

Chemical Information

Benzoic acid, 2-((((2-hydroxy-5-sulfophenyl)azo)phenylmethylene)hydrazino)-, monosodium salt

See also: zincon, monosodium salt (annotation moved to) ... View More ...

CAS Number62625-22-3
PubChem CID135472945
IUPAC Namesodium 3-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]-4-hydroxybenzenesulfonate
Molecular FormulaC20H15N4NaO6S
Molecular Weight462.4
Topological Polar Surface Area172
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity781
SMILES
C1=CC=C(C=C1)/C(=N\NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)/N=NC3=CC=CC=C3C(=O)O.[Na+]
InChI
InChI=1S/C20H16N4O6S.Na/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27;/h1-12,22,25H,(H,26,27)(H,28,29,30);/q;+1/p-1/b23-21?,24-19+;
InChIKey
XBGLXASXFRESIN-JGXOCYJHSA-M
Chemical Structure
2D Structure
2D structure of Benzoic acid, 2-((((2-hydroxy-5-sulfophenyl)azo)phenylmethylene)hydrazino)-, monosodium salt
CAS: 62625-22-3
CID: 135472945
Formula: C20H15N4NaO6S
MW: 462.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight462.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass462.06099967
Monoisotopic Mass462.06099967
Topological Polar Surface Area172 Ų
Heavy Atom Count32
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes