Anthraquinone Impurity 3

CAT: 1596-AR-A06667-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06667-06Size:250 Units

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CAS Number

82-21-3

Molecular Formula

C26H16O4

Molecular Weight

392.41

API Name

Anthraquinone

Chemical Information

9,10-Anthracenedione, 1,5-diphenoxy-

CAS Number	82-21-3
PubChem CID	6699
IUPAC Name	1,5-diphenoxyanthracene-9,10-dione
Molecular Formula	C26H16O4
Molecular Weight	392.4
XLogP	5.9
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	565

SMILES

C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H

InChIKey

GSNYYYXHQZHEFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82-21-3

CID: 6699

Formula: C26H16O4

MW: 392.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.4
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	392.10485899
Monoisotopic Mass	392.10485899
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	565
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A06663-01	Anthraquinone Impurity 2
AR-A06665-01	Anthraquinone Impurity 11
AR-A06668-01	Anthraquinone Impurity 4
AR-A06671-01	Anthraquinone Impurity 7
AR-A06669-01	Anthraquinone Impurity 5
AR-A06670-01	Anthraquinone Impurity 6
AR-A06662-01	Anthraquinone Impurity 1
AR-A06664-01	Anthraquinone Impurity 10
AR-M02825-01	Anthraquinone
AR-A02226-01	Anthraquinone Related Compound 2

Catalog	Name
FA07218-01	Anthraquinone
sc-481097	Anthraquinone-D8
A34120-01	Anthraquinone 97%
HY-N0354R-01	Anthraquinone (Standard)
A34182	Anthraquinone monohydrazone