Azocal a

CAS
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CAS
1836-22-2
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Catalog Number

ACM1836222

Product Name

Azocal a

Structure

CAS

1836-22-2

Category

Heterocyclic Organic Compound

Synonyms

Azocal A;Mordant Red 9

IUPAC Name

trisodium;4-[(2-carboxyphenyl)diazenyl]-3-oxidonaphthalene-2,7-disulfonate

Molecular Weight

518.4g/mol

Molecular Formula

C17H9N2Na3O9S2

Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H12N2O9S2.3Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3

InChI Key

RBKBGHZMNFTKRE-UHFFFAOYSA-K

Density

1.76g/cm³

Complexity

851

Covalently-Bonded Unit Count

EC Number

217-401-3

Exact Mass

517.944255g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

517.944255g/mol

Rotatable Bond Count

UNII

AI36N787FP

MSDS

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COA

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Spec Sheet

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