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Isoprunetin

Isoprunetin structure

CAS No:
4569-98-6
Formula:
C16H12O5
Chemical Name:
Isoprunetin
Synonyms:
4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-;Isoflavone,4′,7-dihydroxy-5-methoxy-;7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one;5-O-Methylgenistein;Isoprunetin;5-Methoxydaidzein

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Isoprunetin Basic Attributes

Molecular Weight：

284.26300

Exact Mass：

284.26

DSSTox ID：

DTXSID00196598

HScode：

2914509090

Characteristics

PSA：

79.90000

XLogP3：

2.87980

Density：

1.42g/cm3

Melting Point：

237-238 °C

Boiling Point：

567.9ºC at 760 mmHg

Flash Point：

218.3ºC

Refractive Index：

1.668

Isoprunetin Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:284.26
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:284.06847348
Monoisotopic Mass:284.06847348
Topological Polar Surface Area:76
Heavy Atom Count:21
Complexity:424
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Isoprunetin

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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