Heptanedioic acid, 4-cyano-4-(1-naphthalenyl)-, dimethyl ester

Base Information

• Chemical Name: Heptanedioic acid, 4-cyano-4-(1-naphthalenyl)-, dimethyl ester
• CAS No.: 56326-93-3
• Molecular Formula: C₂₀H₂₁NO₄
• Molecular Weight: 339.391
• DSSTox Substance ID: DTXSID40481475
• Wikidata: Q82316906

Synonyms:Heptanedioic acid, 4-cyano-4-(1-naphthalenyl)-, dimethyl ester;56326-93-3;SCHEMBL11821422;DTXSID40481475;XLJABUXUTLEFQV-UHFFFAOYSA-N;dimethyl-4-cyano-4-(1-naphthyl)pimelate

Chemical Property of Heptanedioic acid, 4-cyano-4-(1-naphthalenyl)-, dimethyl ester

Chemical Property:

• PSA: 76.39000
• LogP: 3.50758
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 339.14705815
• Heavy Atom Count: 25
• Complexity: 501

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=CC2=CC=CC=C21

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