Anthracene-1,4-Dione

CAT: 0127-OR1025098-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1025098-01Size:1 g

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CAS Number

635-12-1

Synonyms

Anthracene-1,4-dione

Purity

95%

Smiles

C1=CC=C2C=C3C(=O)C=CC(=O)C3=CC2=C1

Chemical Information

1,4-Anthraquinone

structure in first source

CAS Number	635-12-1
PubChem CID	69457
IUPAC Name	anthracene-1,4-dione
Molecular Formula	C14H8O2
Molecular Weight	208.21
XLogP	3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	322

SMILES

C1=CC=C2C=C3C(=O)C=CC(=O)C3=CC2=C1

InChI

InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H

InChIKey

LSOTZYUVGZKSHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 635-12-1

CID: 69457

Formula: C14H8O2

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	208.052429494
Monoisotopic Mass	208.052429494
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	322
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
OR1028971-01	1-Bromo-4- (Methylamino) Anthracene-9,10-Dione
OR1009232-01	1,4-Bis (butylamino) anthracene-9,10-dione
OR80629-01	1,4-Bis (methylamino) anthracene-9,10-dione
OR1027004	1,4-Bis (Mesitylamino) Anthracene-9,10-Dione
OR1029793-01	1,4-Bis (Isopropylamino) Anthracene-9,10-Dione
OR1055237-01	1- (Cyclohexylamino) anthracene-9,10-dione
OR1008975-01	1- (Methylamino) Anthracene-9,10-Dione
OR1057572-01	1,1'-Azanediylbis (anthracene-9,10-dione)
OR1009237	1,4-Bis (p-Tolylamino) Anthracene-9,10-Dione
OR73277-01	1-Hydroxy-4- (p-tolylamino) anthracene-9,10-dione

Catalog	Name
AQ BD AN32-01	Anthracene-1,4-dione
JH446463	1,4-bis (ethylamino) anthracene-9,10-dione
TRC-A902300-100MG	1-Amino-4-(methylamino)anthracene-9,10-dione
RG-A262761-01	1-Hydroxy-4- (Phenylamino) Anthracene-9,10-Dione
FH KO 0117-01	Anthracene-9,10-dione
TRC-P768855-500MG	1,4-Bis(p-tolylamino)anthracene-9,10-dione
TRC-H951118-1G	1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione
AP KR 0568-01	1,4-dihydroxy-2- (hydroxymethyl) anthracene-9,10-dione
AP KB 0020-01	1,4-dihydroxy-2- (1-hydroxypropyl) anthracene-9,10-dione
AP KB 0016-01	1,4-dihydroxy-2- (1-hydroxyethyl) anthracene-9,10-dione