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Pigment Yellow 182

CAT: 0931-T87202-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87202-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67906-31-4
Target
Others
Related Pathways
Others
Bioactivity
Pigment Yellow 182, a disazomethine dye with solid-state fluorescence, is a biologically active chemical.
Smiles
C(N=NC1=C(C(OC)=O)C=CC(C(OC)=O)=C1)(C(NC2=C(OC)C=CC=C2)=O)C=3NC(=O)NC(=O)N3
Molecular Formula
C22H20N6O8
Molecular Weight
496.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,4-Benzenedicarboxylic acid, 2-[2-[2-[(2-methoxyphenyl)amino]-2-oxo-1-(3,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)ethyl]diazenyl]-, 1,4-dimethyl ester
CAS Number67906-31-4
PubChem CID106076
IUPAC Namedimethyl 2-[[1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-2-(2-methoxyanilino)-2-oxoethyl]diazenyl]benzene-1,4-dicarboxylate
Molecular FormulaC22H20N6O8
Molecular Weight496.4
XLogP1.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity937
SMILES
COC1=CC=CC=C1NC(=O)C(C2=NC(=O)NC(=O)N2)N=NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC
InChI
InChI=1S/C22H20N6O8/c1-34-15-7-5-4-6-13(15)23-18(29)16(17-24-21(32)26-22(33)25-17)28-27-14-10-11(19(30)35-2)8-9-12(14)20(31)36-3/h4-10,16H,1-3H3,(H,23,29)(H2,24,25,26,32,33)
InChIKey
YJBASQBXNDYREF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Benzenedicarboxylic acid, 2-[2-[2-[(2-methoxyphenyl)amino]-2-oxo-1-(3,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)ethyl]diazenyl]-, 1,4-dimethyl ester
CAS: 67906-31-4
CID: 106076
Formula: C22H20N6O8
MW: 496.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass496.13426162
Monoisotopic Mass496.13426162
Topological Polar Surface Area186 Ų
Heavy Atom Count36
Formal Charge0
Complexity937
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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