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68399-76-8

Basic Information
CAS No.: 68399-76-8
Name: OROTIC ACID ZINC SALT DIHYDRATE
Molecular Structure:
Molecular Structure of 68399-76-8 (OROTIC ACID ZINC SALT DIHYDRATE)
Formula: C5H4N2O·1/2 Zn
Molecular Weight: 375.59
Synonyms: 3,4-divanillyltetrahydrofuran (Nettle Root Extract);Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate;Zinc orotate;
EINECS: 269-988-0
Safety: 22-24/25
PSA: 202.50000
LogP: -2.76250
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    Chemical Name: Zinc orotate Synonyms: orotic acid zinc salt dihydrate CAS No.: 68399-76-8 Molecular Formula: C10H6N4O8*Zn Properties: White crystals or crystalline powder; bitter taste, Very easy soluble in water. Specifications:

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Specification

The 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1), with the CAS registry number 68399-76-8, is also known as Zinc orotate. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS number is 269-988-0. This chemical's molecular formula is C5H4N2O·1/2 Zn and formula weight is 375.59. What's more, its systematic name is Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2). You should not breathe dust. When using it, you should avoid contact with skin and eyes.

Physical properties of 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1) are: (1)#H bond acceptors: 12; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 196.66 Å2.

You can still convert the following datas into molecular structure:
(1)Smiles: n1c(cc(nc1O)C(=O)[O-])O.[Zn+2].n1c(cc(nc1O)C(=O)[O-])O
(2)InChI: InChI=1/2C5H4N2O4.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
(3)InChIKey: LUALAXHLCYKCNS-UHFFFAOYSA-L