2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-((2S)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S,4R)-

Base Information

• Chemical Name: 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-((2S)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S,4R)-
• CAS No.: 129655-17-0
• Molecular Formula: C17H20 N2 O4
• UNII: 2MDK92975H
• Nikkaji Number: J1.018.713C
• Wikidata: Q27254957

Synonyms:6-cyano-3,4-dihydro-2,2-dimethyl-2H-3-hydroxy-4-(2-oxo-1-(hydroxymethyl)-1-pyrrolidinyl)-1-benzopyran;MJ 355;MJ 451;MJ-355;MJ-451

Chemical Property of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-((2S)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S,4R)-

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 316.14230712
• Heavy Atom Count: 23
• Complexity: 526

Purity/Quality:

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• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(CCC3=O)CO)O)C
• Isomeric SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3[C@@H](CCC3=O)CO)O)C

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