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868-16-6

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Basic Information
CAS No.: 868-16-6
Name: LITHIUM BITARTRATE
Article Data: 3
Molecular Structure:
Molecular Structure of 868-16-6 (LITHIUM BITARTRATE)
Formula: C4H5LiO6
Molecular Weight: 161.954
Synonyms: Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, monolithium salt (9CI);Butanedioic acid,2,3-dihydroxy-[R-(R*,R*)]-, monolithium salt;Lithium bitartrate;Tartarlithine;
EINECS: 212-771-2
Boiling Point: 399.3°C at 760 mmHg
Flash Point: 209.4°C
PSA: 120.72000
LogP: -4.79200
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Specification

The Butanedioic acid,2,3-dihydroxy- (2R,3R)-, lithium salt (1:1) is an organic compound with the formula C4H5LiO6. The IUPAC name of this chemical is lithium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate. With the CAS registry number 868-16-6, it is also named as lithium hydrogen tartrate.

Physical properties about Butanedioic acid,2,3-dihydroxy- (2R,3R)-, lithium salt (1:1) are: (1)#H bond acceptors: 6; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 120.72 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Li+].O=C([O-])C(O)C(O)C([O-])=O
(2)InChI: InChI=1/C4H6O6.Li/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-2
(3)InChIKey: ZPPPLBXXTCVBNC-NUQVWONBAX
(4)Std. InChI: InChI=1S/C4H6O6.Li/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-2
(5)Std. InChIKey: ZPPPLBXXTCVBNC-UHFFFAOYSA-L