6-Heptynoic acid, 5-hydroxy-, methyl ester, (S)-

Base Information

• Chemical Name: 6-Heptynoic acid, 5-hydroxy-, methyl ester, (S)-
• CAS No.: 90108-28-4
• Molecular Formula: C8H12O3
• Molecular Weight: 156.181
• DSSTox Substance ID: DTXSID10450759
• Nikkaji Number: J474.270B
• Wikidata: Q82270575
• Mol file: 90108-28-4.mol

Synonyms:6-Heptynoic acid, 5-hydroxy-, methyl ester, (S)-;90108-28-4;DTXSID10450759;5-Hydroxy-hept-6-ynoic acid methyl ester;(S)-5-Hydroxy-6-heptynoic acid methyl ester

Chemical Property of 6-Heptynoic acid, 5-hydroxy-, methyl ester, (S)-

Chemical Property:

• PSA: 46.53000
• LogP: 0.32380
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC(C#C)O
• Isomeric SMILES: COC(=O)CCC[C@@H](C#C)O