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2,5-Bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione

2,5-Bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione structure

CAS No:
548-32-3
Formula:
C32H20O8
Chemical Name:
2,5-Bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione
Synonyms:
AURANTIACIN;4-(Benzoyloxy)-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl benzoate;NSC93050;UNII-8TAT447CD8;8TAT447CD8;NSC 93050;CHEMBL1977783;CTK5A2637;DTXSID00203276;ZINC1603967

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2,5-Bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione Basic Attributes

Molecular Weight：

532.504

Exact Mass：

532.116

UNII：

8TAT447CD8

NSC Number：

93050

DSSTox ID：

DTXSID00203276

Characteristics

PSA：

127

XLogP3：

5.8

Density：

1.48±0.1 g/cm3(Predicted)

Melting Point：

285-295 °C

Boiling Point：

760.7ºC at 760 mmHg

Flash Point：

252.6ºC

Refractive Index：

1.72

Computed Properties

Molecular Weight:532.5
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:532.11581759
Monoisotopic Mass:532.11581759
Topological Polar Surface Area:127
Heavy Atom Count:40
Complexity:959
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

2,5-Bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione

SDS

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