5-Hexenoic acid, 3-hydroxy-3-methyl-, ethyl ester

Base Information

• Chemical Name: 5-Hexenoic acid, 3-hydroxy-3-methyl-, ethyl ester
• CAS No.: 113997-03-8
• Molecular Formula: C9H16O3
• DSSTox Substance ID: DTXSID40454588
• Nikkaji Number: J1.599.832F
• Mol file: 113997-03-8.mol

Synonyms:113997-03-8;ethyl 3-hydroxy-3-methylhex-5-enoate;5-Hexenoic acid, 3-hydroxy-3-methyl-, ethyl ester;SCHEMBL14226494;DTXSID40454588;ethyl 3-hydroxy-3-methyl-5-hexenoate;3-Hydroxy-3-methyl-5-hexenoic acid ethyl ester

Chemical Property of 5-Hexenoic acid, 3-hydroxy-3-methyl-, ethyl ester

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C)(CC=C)O

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