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Xanthurenic Acid-d4

CAS No.:
1329611-28-0
Catalog Number:
AG009E2J
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009E2J
Chemical Name:
Xanthurenic Acid-d4
CAS Number:
1329611-28-0
IUPAC Name:
3,5,6,7-tetradeuterio-4,8-dihydroxyquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)/i1D,2D,3D,4D
InChI Key:
FBZONXHGGPHHIY-RHQRLBAQSA-N
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.063g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
4  
Molecular Weight:
209.193g/mol
Monoisotopic Mass:
209.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties