4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-7-phenylmethoxychromen-2-one


Chemical Name: 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-7-phenylmethoxychromen-2-one
CAS Number: 30992-69-9
Product Number: AG0031VG(AGN-PC-0ABV89)
Synonyms:
MDL No:
Molecular Formula: C26H22O5
Molecular Weight: 414.4499

Identification/Properties


Computed Properties
Molecular Weight:
414.457g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
414.147g/mol
Monoisotopic Mass:
414.147g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
671
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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