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Structure

Cyclohexanebutanoic acid, copper(2+) salt

CAS
2218-80-6
Catalog Number
ACM2218806
Category
Main Products
Molecular Weight
402
Molecular Formula
C20H34CuO4

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Specification

Synonyms
Copper(II) cyclohexanebutyrate
IUPAC Name
Copper;4-cyclohexylbutanoate
Canonical SMILES
C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Cu+2]
InChI
InChI=1S/2C10H18O2.Cu/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;+2/p-2
InChI Key
FGUOYHAMMRMUQO-UHFFFAOYSA-L
Melting Point
126 °C
Appearance
Powder
Complexity
131
Covalently-Bonded Unit Count
3
EC Number
218-723-7
Exact Mass
401.175307
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
25
Monoisotopic Mass
401.175307
Rotatable Bond Count
6
Topological Polar Surface Area
80.3 Ų
What is the molecular formula of Copper(ii)cyclohexanebutyrate?

The molecular formula of Copper(ii)cyclohexanebutyrate is C20H36CuO4.

What is the molecular weight of Copper(ii)cyclohexanebutyrate?

The molecular weight of Copper(ii)cyclohexanebutyrate is 404.0 g/mol.

What is the IUPAC name of Copper(ii)cyclohexanebutyrate?

The IUPAC name of Copper(ii)cyclohexanebutyrate is copper;4-cyclohexylbutanoic acid.

What is the InChI of Copper(ii)cyclohexanebutyrate?

The InChI of Copper(ii)cyclohexanebutyrate is InChI=1S/2C10H18O2.Cu/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12).

What is the InChIKey of Copper(ii)cyclohexanebutyrate?

The InChIKey of Copper(ii)cyclohexanebutyrate is ZGMZTUJLZVTXNR-UHFFFAOYSA-N.

What is the canonical SMILES of Copper(ii)cyclohexanebutyrate?

The canonical SMILES of Copper(ii)cyclohexanebutyrate is C1CCC(CC1)CCCC(=O)O.C1CCC(CC1)CCCC(=O)O.[Cu].

What is the CAS number of Copper(ii)cyclohexanebutyrate?

The CAS number of Copper(ii)cyclohexanebutyrate is 2218-80-6.

What is the European Community (EC) number of Copper(ii)cyclohexanebutyrate?

The European Community (EC) number of Copper(ii)cyclohexanebutyrate is 218-723-7.

How many hydrogen bond donor counts are there in Copper(ii)cyclohexanebutyrate?

There are 2 hydrogen bond donor counts in Copper(ii)cyclohexanebutyrate.

How many rotatable bond counts are there in Copper(ii)cyclohexanebutyrate?

There are 8 rotatable bond counts in Copper(ii)cyclohexanebutyrate.

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