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Acid blue 25

CAT: 0024-sc-214470Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-214470Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6408-78-2

Chemical Information

Acid Blue 25
CAS Number6408-78-2
PubChem CID23675622
IUPAC Namesodium 1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonate
Molecular FormulaC20H13N2NaO5S
Molecular Weight416.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity734
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);/q;+1/p-1
InChIKey
LIKZXCROQGHXTI-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acid Blue 25
CAS: 6408-78-2
CID: 23675622
Formula: C20H13N2NaO5S
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass416.04428697
Monoisotopic Mass416.04428697
Topological Polar Surface Area138 Ų
Heavy Atom Count29
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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