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123334-28-1 | Copper, tetrakis[μ-[2-hydroxy-3,5-bis(1-methylethyl)benzoato-κO:κO']]di-, (Cu-Cu), hydrate (9CI)
CAS No: 123334-28-1 Catalog No: AG000KEC MDL No:
Product Description
Catalog Number:
AG000KEC
Chemical Name:
Copper, tetrakis[μ-[2-hydroxy-3,5-bis(1-methylethyl)benzoato-κO:κO']]di-, (Cu-Cu), hydrate (9CI)
CAS Number:
123334-28-1
Molecular Formula:
C26H36CuO7
Molecular Weight:
524.1058
IUPAC Name:
copper;2-carboxy-4,6-di(propan-2-yl)phenolate;hydrate
InChI:
InChI=1S/2C13H18O3.Cu.H2O/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;;/h2*5-8,14H,1-4H3,(H,15,16);;1H2/q;;+2;/p-2
InChI Key:
SXWHJKRSFYUWQB-UHFFFAOYSA-L
SMILES:
CC(c1cc(C(C)C)c(c(c1)C(=O)[O-])O)C.CC(c1cc(C(C)C)c(c(c1)C(=O)[O-])O)C.O.[Cu+2]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.176g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
524.113g/mol
Monoisotopic Mass:
523.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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