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2D Structure
Also known as: Copper(ii) 2-naphthoate, 14041-39-5, Copper napthenate, Schembl1437188, Akos024400874, Bis(2-naphthoic acid) copper(ii) salt
Molecular Formula
C22H14CuO4
Molecular Weight
405.9  g/mol
InChI Key
OHGJVAFVIMGJTE-UHFFFAOYSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
copper;naphthalene-2-carboxylate
2.1.2 InChI
InChI=1S/2C11H8O2.Cu/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
2.1.3 InChI Key
OHGJVAFVIMGJTE-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Cu+2]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Copper(ii) 2-naphthoate

2. 14041-39-5

3. Copper Napthenate

4. Schembl1437188

5. Akos024400874

6. Bis(2-naphthoic Acid) Copper(ii) Salt

7. Q26841335

2.3 Create Date
2007-02-12
3 Chemical and Physical Properties
Molecular Weight 405.9 g/mol
Molecular Formula C22H14CuO4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass405.018806 g/mol
Monoisotopic Mass405.018806 g/mol
Topological Polar Surface Area80.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3