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Cycloheptane-1,3-dione

Cycloheptane-1,3-dione

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Catalog Number

ACM1194189-1

Product Name

Structure

CAS

1194-18-9

Product Overview
Usage

IUPAC Name

cycloheptane-1,3-dione;

Molecular Weight

126.155g/mol

Molecular Formula

C7H10O2;

Canonical SMILES

C1CCC(=O)CC(=O)C1;

InChI

InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2;

InChI Key

DBOVMTXPZWVYAQ-UHFFFAOYSA-N;

Complexity

122

Covalently-Bonded Unit Count

Exact Mass

126.068g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

126.068g/mol

Topological Polar Surface Area

34.1A^2

Application

Cycloheptane-1,3-dione serves as a versatile reagent in synthetic chemistry, primarily utilized for the creation of perhydroazulenes and prostaglandin products, which are biologically active unsaturated fatty acids featuring a 5-carbon ring and enzymatic origins. Additionally, it plays a pivotal role in generating Knoevenagel products, contributing significantly to various chemical synthesis applications.

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CAS
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1194-18-9
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