5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
• CAS No.: 832737-91-4
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.19
• DSSTox Substance ID: DTXSID20390273
• ChEMBL ID: CHEMBL2138102
• Mol file: 832737-91-4.mol

Synonyms:832737-91-4;5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid;5-Methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid;5-Methyl-4,5,6,7-tetrahydro-benzo[d]isoxazole-3-carboxylic acid;MFCD04969898;4,5,6,7-tetrahydro-5-methyl-benzisoxazole-3-carboxylic acid;5-methyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid;MLS000716389;CHEMBL2138102;SCHEMBL18365836;DTXSID20390273;HMS2629B03;5-Methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylicacid;STK349641;AKOS000310229;FS-6277;SMR000277906;CS-0119833;EN300-83719;Z339274892;5-Methyl-4,5,6,7-tetrahydro-benzo[ d ]isoxazole-3-carboxylic acid

Chemical Property of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

98% ^*data from raw suppliers

5-methyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2=C(C1)C(=NO2)C(=O)O