CAS No.68399-76-8,OROTIC ACID ZINC SALT DIHYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68399-76-8
Name:	OROTIC ACID ZINC SALT DIHYDRATE

Formula:	C₅H₄N₂O₄·1/2 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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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 C₅H₄N₂O₄·1/2 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