ligands&coordination complexes / Alfa Chemistry
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Zinc orotate

Catalog Number ACM68399768-1
CAS 68399-76-8
Structure Zinc orotate
Synonyms 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1)
Molecular Weight 375.6
Molecular Formula C10H6N4O8Zn
Canonical SMILES C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Zn+2]
InChI InChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;+2/p-2
InChI Key YNMDOZLVAPMCBD-UHFFFAOYSA-L
Purity 98%
Complexity 262
Covalently-Bonded Unit Count 3
Defined Atom Stereocenter Count 0
Exact Mass 373.947705
Heavy Atom Count 23
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
Monoisotopic Mass 373.947705
Rotatable Bond Count 0
Topological Polar Surface Area 197 Ų

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