4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester

Base Information

• Chemical Name: 4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester
• CAS No.: 79314-63-9
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID10462231
• Nikkaji Number: J1.456.056D

Synonyms:79314-63-9;4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester;DTXSID10462231;AKOS015382725;ethyl 2,2-dimethyl-3-hydroxy-4-pentenoate;2,2-Dimethyl-3-hydroxy-4-pentenoic acid ethyl ester

Chemical Property of 4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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