3-Hydroxycotinine

Base Information

• Chemical Name: 3-Hydroxycotinine
• CAS No.: 205246-48-6
• Molecular Formula: C10H12N2O2
• Molecular Weight: 192.217
• DSSTox Substance ID: DTXSID60436881
• Nikkaji Number: J2.032.207A
• NCI Thesaurus Code: C105948
• Metabolomics Workbench ID: 37768

Synonyms:1-methyl-3-hydroxy-5-(3-pyridyl)-2-pyrrolidinone;3'-hydroxycotinine;3-hydroxycotinine;hydroxycotinine;trans-3'-hydroxycotinine

Chemical Property of 3-Hydroxycotinine

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(CC(C1=O)O)C2=CN=CC=C2
• Isomeric SMILES: CN1[C@@H](CC(C1=O)O)C2=CN=CC=C2

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