3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid

Base Information

• Chemical Name: 3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
• CAS No.: 176909-92-5
• Molecular Formula: C8H11NO3
• Molecular Weight: 169.18
• DSSTox Substance ID: DTXSID901188462
• Mol file: 176909-92-5.mol

Synonyms:176909-92-5;3a,4,5,6,7,7a-hexahydro-1,2-benzisoxazole-3-carboxylic acid;3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-3-carboxylic acid;3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-carboxylic Acid;3a,4,5,6,7,7a-Hexahydro-benzo[d]isoxazole-3-carboxylic acid;3A,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-carboxylicacid;SCHEMBL20507147;DTXSID901188462;MFCD03789034;STL387993;AKOS006277565;LS-06745;CS-0333825;3|A inverted exclamation mark,4,5,6,7,7|A inverted exclamation mark-Hexahydrobenzo[d]isoxazole-3-carboxylic acid

Chemical Property of 3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2C(C1)C(=NO2)C(=O)O