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2847-05-4

Basic Information
CAS No.: 2847-05-4
Name: Zinc malate
Molecular Structure:
Molecular Structure of 2847-05-4 (Zinc malate)
Formula: C4H4O5Zn
Molecular Weight: 197.48
Synonyms: Butanedioicacid, hydroxy-, zinc salt (1:1) (9CI);Malic acid, zinc salt (1:1) (8CI);Zincmalate (7CI);
EINECS: 220-647-4
Boiling Point: 306.4 °C at 760 mmHg
Flash Point: 153.4 °C
Appearance: white powder
PSA: 72.83000
LogP: -1.25010
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Chemistry

IUPAC Name: Zinc 2-hydroxybutanedioate
Synonyms of Zinc malate (CAS NO.2847-05-4): Malic acid, zinc salt ; Zinc 2-hydroxybutanedioate
CAS NO: 2847-05-4
Molecular Formula: C4H4O5Zn
Molecular Weight: 197.48
Molecular Structure:
EINECS: 220-647-4
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 83.83 Å2
Flash Point: 153.4 °C
Enthalpy of Vaporization: 63.43 kJ/mol
Boiling Point: 306.4 °C at 760 mmHg
Vapour Pressure: 7.19E-05 mmHg at 25°C 
SMILES: [Zn+2].[O-]C(=O)CC(O)C([O-])=O
InChI: InChI=1/C4H6O5.Zn/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2
InChIKey: YMTJAFLYBRWKTF-NUQVWONBAJ
Std. InChI: InChI=1S/C4H6O5.Zn/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2
Std. InChIKey: YMTJAFLYBRWKTF-UHFFFAOYSA-L

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 2gm/kg (2000mg/kg) BEHAVIORAL: FLUID INTAKE

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: OTHER CHANGES
"Problemes de Toxicologie Alimentaire," Truhaut, R., Paris, France, L'evolution Pharmaceutique, 1955Vol. -, Pg. -, 1955.