3-Cyclohexylisoxazole-5-carboxylic acid

Base Information

• Chemical Name: 3-Cyclohexylisoxazole-5-carboxylic acid
• CAS No.: 876716-46-0
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80424402
• Wikidata: Q82236963
• Mol file: 876716-46-0.mol

Synonyms:3-cyclohexylisoxazole-5-carboxylic acid;876716-46-0;3-cyclohexyl-1,2-oxazole-5-carboxylic acid;3-Cyclohexyl-isoxazole-5-carboxylic acid;SCHEMBL3941812;DTXSID80424402;HMS1700H03;MFCD07643234;STK341900;3-cyclohexylisoxazole-5-carboxylicacid;AKOS000303362;LS-03311;BB 0260665;CS-0271614;F75270;EN300-1837757;A862477

Chemical Property of 3-Cyclohexylisoxazole-5-carboxylic acid

Chemical Property:

• PSA: 63.33000
• LogP: 2.42050
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

3-Cyclohexylisoxazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=NOC(=C2)C(=O)O