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24820-18-6

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Basic Information
CAS No.: 24820-18-6
Name: dilithium fumarate
Molecular Structure:
Molecular Structure of 24820-18-6 (dilithium fumarate)
Formula: C4H2Li2O4
Molecular Weight: 127.9383
Synonyms: 2-Butenedioicacid (E)-, dilithium salt;Dilithiumfumarate;Lithium fumarate;
EINECS: 246-478-6
Boiling Point: 355.5 °C at 760 mmHg
Flash Point: 183 °C
PSA: 80.26000
LogP: -2.95760
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Specification

The 2-Butenedioicacid (2E)-, dilithium salt (9CI), with the CAS registry number 24820-18-6, is also known as 2-Butenedioic acid, lithium salt, (2E)- (1:2). Its EINECS registry number is 246-478-6. This chemical's molecular formula is C4H2Li2O4 and molecular weight is 127.93828. What's more, its IUPAC name is Dilithium (E)-but-2-enedioate.

Physical properties about 2-Butenedioicacid (2E)-, dilithium salt (9CI) are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.12; (4)ACD/LogD (pH 7.4): -4.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.6 Å2; (13)Flash Point: 183 °C; (14)Enthalpy of Vaporization: 65.99 kJ/mol; (15)Boiling Point: 355.5 °C at 760 mmHg; (16)Vapour Pressure: 5.19E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Li+].[Li+].[O-]C(=O)\C=C\C([O-])=O
(2) InChI: InChI=1/C4H4O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
(3) InChIKey: PMUKAEUGVCXPDF-HYKNURKJBM