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17840-25-4 | 1,3-Benzenedicarboxylic acid, lithium salt (1:2)
CAS No: 17840-25-4 Catalog No: AG002603 MDL No:
Product Description
Catalog Number:
AG002603
Chemical Name:
1,3-Benzenedicarboxylic acid, lithium salt (1:2)
CAS Number:
17840-25-4
Molecular Formula:
C8H4Li2O4
Molecular Weight:
177.9970
IUPAC Name:
dilithium;benzene-1,3-dicarboxylate
InChI:
InChI=1S/C8H6O4.2Li/c9-7(10)5-2-1-3-6(4-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChI Key:
HAVBHVPVOFMKKA-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1cccc(c1)C(=O)[O-].[Li+].[Li+]
EC Number:
241-796-1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.996g/mol
Monoisotopic Mass:
178.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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