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Direct Yellow 26

CAT: 0024-sc-487070Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487070Size:25 g
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CAS Number
2829-42-7

Chemical Information

benzoic acid, 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxy-, disodium salt
CAS Number2829-42-7
PubChem CID76067
IUPAC Namedisodium;5-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-hydroxybenzoate
Molecular FormulaC27H18N6Na2O7
Molecular Weight584.4
Topological Polar Surface Area211
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity849
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)[O-])N=NC4=CC(=C(C=C4)O)C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C27H20N6O7.2Na/c34-23-11-9-19(13-21(23)25(36)37)32-30-17-5-1-15(2-6-17)28-27(40)29-16-3-7-18(8-4-16)31-33-20-10-12-24(35)22(14-20)26(38)39;;/h1-14,34-35H,(H,36,37)(H,38,39)(H2,28,29,40);;/q;2*+1/p-2
InChIKey
FCCOTXHFDDRSDO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of benzoic acid, 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxy-, disodium salt
CAS: 2829-42-7
CID: 76067
Formula: C27H18N6Na2O7
MW: 584.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass584.10323550
Monoisotopic Mass584.10323550
Topological Polar Surface Area211 Ų
Heavy Atom Count42
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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