(2,4-Dihydroxybenzoato-O1,O2)hydroxycopper

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Catalog Number
ACM69868093-1
Product Name
(2,4-Dihydroxybenzoato-O1,O2)hydroxycopper
CAS
69868-09-3
Category
Heterocyclic Organic Compound
Synonyms
Copper;2-carboxy-5-hydroxyphenolate;hydroxide
IUPAC Name
copper 2,4-dihydroxybenzoate hydroxide
Molecular Weight
233.67
Molecular Formula
C7H6CuO5
Canonical SMILES
C1=CC(=C(C=C1O)[O-])C(=O)O.[OH-].[Cu+2]
InChI
InChI=1S/C7H6O4.Cu.H2O/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,8-9H,(H,10,11);1H2/q;+2;/p-2
InChI Key
MZCSXSKMYAZJHK-UHFFFAOYSA-L
Boiling Point
414.8ºC at 760 mmHg
Flash Point
218.8ºC
EC Number
274-171-7
Exact Mass
232.95112
H-Bond Acceptor
5
H-Bond Donor
3
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
3
Monoisotopic Mass
232.95112
Rotatable Bond Count
1
Topological Polar Surface Area
81.6 Ų
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