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4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl hexanoate
[CAS# 602329-51-1]

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Identification
Name 4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl hexanoate
Synonyms 4'-O-Hexanoyldaidzein
Molecular Structure CAS#: 602329-51-1, 4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl hexanoate
Molecular Formula C21H20O5
Molecular Weight 352.38
CAS Registry Number 602329-51-1
SMILES O=C(Oc3ccc(C=1C(=O)c2c(OC=1)cc(O)cc2)cc3)CCCCC
InChI 1S/C21H20O5/c1-2-3-4-5-20(23)26-16-9-6-14(7-10-16)18-13-25-19-12-15(22)8-11-17(19)21(18)24/h6-13,22H,2-5H2,1H3
InChIKey QHOPMOMDTCSQMX-UHFFFAOYSA-N
Properties
Density 1.252g/cm3 (Cal.)
Boiling point 536.126°C at 760 mmHg (Cal.)
Flash point 189.523°C (Cal.)
Refractive index 1.598 (Cal.)
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