Benzoic acid copper(II) salt hydrate

Catalog Number	ACM66019076-1
CAS	66019-07-6
Synonyms	Copper;dibenzoate;hydrate
Molecular Weight	323.79
Molecular Formula	C14H12CuO5
Canonical SMILES	C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].O.[Cu+2]
InChI	InChI=1S/2C7H6O2.Cu.H2O/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);1H2/q;+2;/p-2
InChI Key	MWVGMUIXQFOPRU-UHFFFAOYSA-L
Purity	96%
Exact Mass	322.998071
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	322.998071
Rotatable Bond Count	0
Topological Polar Surface Area	81.3 Ų