3-Methyl-4,5-dihydroisoxazole-5-carboxylic acid

Base Information

• Chemical Name: 3-Methyl-4,5-dihydroisoxazole-5-carboxylic acid
• CAS No.: 473700-52-6
• Molecular Formula: C5H7NO3
• Molecular Weight: 129.114
• Hs Code.: 2934999090
• European Community (EC) Number: 818-328-5
• DSSTox Substance ID: DTXSID00475678
• Mol file: 473700-52-6.mol

Synonyms:473700-52-6;3-methyl-4,5-dihydroisoxazole-5-carboxylic acid;3-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;3-METHYL-4,5-DIHYDRO-5-ISOXAZOLECARBOXYLIC ACID;3-Methyl-4,5-dihydro-isoxazole-5-carboxylic acid;3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylicacid;MFCD11048467;SCHEMBL5793246;DTXSID00475678;AKOS000303345;AKOS016345641;AS-49335;CS-0205702;EN300-92447;H10561;A914907;Z1198309057;3-Methyl-4,5-dihydro-5-isoxazolecarboxylic acid, AldrichCPR

Chemical Property of 3-Methyl-4,5-dihydroisoxazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00232mmHg at 25°C
• Boiling Point: 267.6°C at 760 mmHg
• Flash Point: 115.6°C
• PSA: 58.89000
• Density: 1.44g/cm³
• LogP: -0.32860
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 129.042593085
• Heavy Atom Count: 9
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

3-methyl-4,5-dihydroisoxazole-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(C1)C(=O)O