5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole

Base Information

• Chemical Name: 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole
• CAS No.: 64670-43-5
• Molecular Formula: C₁₇H₂₀N₂O₄
• Molecular Weight: 316.357
• DSSTox Substance ID: DTXSID10214939
• Wikidata: Q76152634
• Mol file: 64670-43-5.mol

Synonyms:5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole;2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-;64670-43-5;DTXSID10214939;LS-81466

Chemical Property of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole

Chemical Property:

• Density: 1.31g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 316.14230712
• Heavy Atom Count: 23
• Complexity: 539

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=CC=C3
• Isomeric SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NNC2=O)C3=CC=CC=C3