2H-1-Benzopyran-2-one, 4-hydroxy-3-(2-hydroxy-3-oxo-1-phenylbutyl)-


Chemical Name: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(2-hydroxy-3-oxo-1-phenylbutyl)-
CAS Number: 83219-99-2
Product Number: AG00G281(AGN-PC-0AAQJB)
Synonyms:
MDL No:
Molecular Formula: C19H16O5
Molecular Weight: 324.32734

Identification/Properties


Computed Properties
Molecular Weight:
324.332g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
324.1g/mol
Monoisotopic Mass:
324.1g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
532
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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Chemical Structure



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