Structure

Zinc undecylenate

CAS
557-08-4
Catalog Number
ACM557084
Category
Organic Zinc
Molecular Weight
431.922g/mol
Molecular Formula
C22H38O4Zn

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Specification

Synonyms
Zinc undecylenate;
IUPAC Name
zinc;undec-10-enoate;
Canonical SMILES
C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2];
InChI
InChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2;
InChI Key
YMCOHQVWOBMDCZ-UHFFFAOYSA-L;
Melting Point
118-121ºC
Flash Point
145.8ºC
Density
1.63 g/cm³
Appearance
White powder
Application
anthelmintic
Complexity
136
Covalently-Bonded Unit Count
3
EC Number
209-155-0
Exact Mass
430.206g/mol
Hazard Codes
Xi
H-Bond Acceptor
4
Heavy Atom Count
27
LogP
6.59890
Monoisotopic Mass
430.206g/mol
NSC Number
759140
Physical Description
DryPowder;
PSA
52.6
Rotatable Bond Count
16
Topological Polar Surface Area
80.3A^2
UNII
388VZ25DUR
March 7, 2023


Work great in drug preparation
Zinc undecylenate is a natural antifungal additive, which can be prepared into antifungal drugs to treat skin fungal infections.

What is the molecular formula of Zinc undecylenate according to the reference?

The molecular formula is C22H38O4Zn.

What are some synonyms for Zinc undecylenate listed in the reference?

Some synonyms include Zinc 10-undecenoate and Mycoseptin zinc.

What is the molecular weight of Zinc undecylenate?

The molecular weight is 431.9 g/mol.

How is Zinc undecylenate described in the NCI Thesaurus?

It is described as a natural or synthetic fungistatic fatty acid, antifungal agent used topically in creams against fungal infections.

What is the IUPAC Name of Zinc undecylenate?

The IUPAC Name is zinc;undec-10-enoate.

What is the InChIKey of Zinc undecylenate?

The InChIKey is YMCOHQVWOBMDCZ-UHFFFAOYSA-L.

What is the Canonical SMILES of Zinc undecylenate?

The Canonical SMILES is C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2].

What is the CAS number for Zinc undecylenate?

The CAS number is 557-08-4.

How many hydrogen bond acceptor counts does Zinc undecylenate have?

Zinc undecylenate has 4 hydrogen bond acceptor counts.

What is the heavy atom count of Zinc undecylenate?

The heavy atom count is 27.

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