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1,4-CHRYSENEQUINONE

1,4-CHRYSENEQUINONE structure

CAS No:
100900-16-1
Formula:
C18H10O2
Chemical Name:
1,4-CHRYSENEQUINONE
Synonyms:
CHRYSENE-1,4-DIONE;1,4-CHRYSENEQUINONE
Categories:
Chemical Reagents > Organic Reagents

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Description

1,4-Chrysenequinone, a polycyclic aromatic quinone, acts as an activator of aryl hydrocarbon receptor (AhR).

Chrysene-1,4-dione is a member of phenanthrenes.

1,4-CHRYSENEQUINONE Basic Attributes

Molecular Weight：

258.27

Exact Mass：

258.068085

DSSTox ID：

DTXSID90143571

HScode：

2914399090

Characteristics

PSA：

34.1

XLogP3：

4.25

Density：

1.353±0.06 g/cm3(Predicted)

Melting Point：

210-212 °C(lit.)

Boiling Point：

499.5±45.0 °C(Predicted)

Flash Point：

184.7±25.7 °C

Refractive Index：

1.761

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

Computed Properties

Molecular Weight:258.3
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Exact Mass:258.068079557
Monoisotopic Mass:258.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:20
Complexity:464
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes