Calcon

CAT: 1507-66600025Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1507-66600025Size:25 mg

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CAS Number

2538-85-4

HSN Code

29270090

Chemical Information

1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-, monosodium salt

See also: Acid Red 336 (annotation moved to); C.I. Acid Red 336 (annotation moved to); Calcon (annotation moved to).

CAS Number	2538-85-4
PubChem CID	135465074
IUPAC Name	sodium 3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Molecular Formula	C20H13N2NaO5S
Molecular Weight	416.4
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	685

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1

InChIKey

ZQWICJYATMSSSD-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 2538-85-4

CID: 135465074

Formula: C20H13N2NaO5S

MW: 416.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	416.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	416.04428697
Monoisotopic Mass	416.04428697
Topological Polar Surface Area	131 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	685
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

Catalog	Name
T19905	Calcon
sc-252545	Calcon™
103120 5	Calcon For Titrating Metal
288645-01	Calcon Carboxylic Acid AR
C01990-01	Calcon C.I. No. 15705
74654588-01	Calcon (c.i. 15705) Pa
85446-01	Solochrom Dark Blue (Calcon), 50%
319955-01	Solochrome Dark Blue C.l. No. 15705 (Calcon, Eriochrome Blue Black R)