5-(2-Hydroxybutyl)-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 5-(2-Hydroxybutyl)-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester
• CAS No.: 202817-14-9
• Molecular Formula: C₁₀H₁₇NO₄
• Molecular Weight: 215.249
• DSSTox Substance ID: DTXSID701190675
• Nikkaji Number: J371.419E

Synonyms:202817-14-9;DTXSID701190675;Ethyl 4,5-dihydro-5-(2-hydroxybutyl)-3-isoxazolecarboxylate;5-(2-Hydroxybutyl)-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester

Chemical Property of 5-(2-Hydroxybutyl)-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 215.11575802
• Heavy Atom Count: 15
• Complexity: 252

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MSDS Files:

Useful:

• Canonical SMILES: CCC(CC1CC(=NO1)C(=O)OCC)O

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