4-Heptynoic acid

Base Information

• Chemical Name: 4-Heptynoic acid
• CAS No.: 42441-83-8
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• DSSTox Substance ID: DTXSID80415572
• Nikkaji Number: J2.443.836H
• Wikidata: Q82224510
• Metabolomics Workbench ID: 899
• Mol file: 42441-83-8.mol

Synonyms:4-Heptynoic acid;hept-4-ynoic acid;42441-83-8;SCHEMBL3104209;DTXSID80415572;CHEBI:165470;LMFA01030489;AKOS006379000

Chemical Property of 4-Heptynoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CCCC(=O)O