5539-46-8 Purity
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Specification
The molecular formula of Chorismic acid barium salt is C10H8BaO6.
The molecular weight of Chorismic acid barium salt is 361.49 g/mol.
The IUPAC name of Chorismic acid barium salt is barium(2+);(3R,4R)-3-(1-carboxylatoethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate.
The InChI code for Chorismic acid barium salt is InChI=1S/C10H10O6.Ba/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11;/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15);/q;+2/p-2/t7-,8-;/m1./s1.
The Canonical SMILES of Chorismic acid barium salt is C=C(C(=O)[O-])OC1C=C(C=CC1O)C(=O)[O-].[Ba+2].
The CAS number of Chorismic acid barium salt is 55508-12-8.
The EC number of Chorismic acid barium salt is 637-247-4.
The hydrogen bond donor count of Chorismic acid barium salt is 1.
The hydrogen bond acceptor count of Chorismic acid barium salt is 6.
Chorismic acid barium salt has 2 covalently-bonded units.