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ACTIVE PHARMA INGREDIENTS

2 VMF

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2 FDF Dossiers, 2 Canada

2 FDF Dossiers
2 Canada

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Chemistry

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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

1338-02-9

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 Formula	C₂₂H₁₄CuO₄
Molecular Weight	405.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	405.018806 g/mol
Monoisotopic Mass	405.018806 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3