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


Chemical Name: 2H-1-Benzopyran-6-carbonitrile,3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, (3S,4R)-
CAS Number: 94535-50-9
Product Number: AG01E5Z4(AGN-PC-0W453Z)
Synonyms:
MDL No: MFCD00864806
Molecular Formula: C16H18N2O3
Molecular Weight: 286.32572

Identification/Properties


Computed Properties
Molecular Weight:
286.331g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
286.132g/mol
Monoisotopic Mass:
286.132g/mol
Topological Polar Surface Area:
73.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
481
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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