2,6-Dimethylbenzoquinone

CAT: 0127-BUP14732Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14732Size:100 mg

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CAS Number

527-61-7

Synonyms

M-Xyloquinone, 2,6-Dimethylquinone

Purity

=98%

Smiles

CC1=CC(=O)C=C(C)C1=O

Chemical Information

2,6-Dimethyl-1,4-benzoquinone

CAS Number	527-61-7
PubChem CID	68241
IUPAC Name	2,6-dimethylcyclohexa-2,5-diene-1,4-dione
Molecular Formula	C8H8O2
Molecular Weight	136.15
XLogP	1.2
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	232

SMILES

CC1=CC(=O)C=C(C1=O)C

InChI

InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

InChIKey

SENUUPBBLQWHMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 527-61-7

CID: 68241

Formula: C8H8O2

MW: 136.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.15
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	136.052429494
Monoisotopic Mass	136.052429494
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	232
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
OR1062063-01	[2,2':6',2''-Terpyridine]-6,6''-dicarbonitrile
OR1026256-01	6,6''-Dibromo-2,2':6',2''-Terpyridine
OR73611-01	2,2,6,6-Tetramethylmorpholine
OR1074306-01	2,2':6',2'':6'',2'''-Quaterpyridine
OR30412-01	2,2,6,6-Tetramethylpiperidine
OR1072848-01	[2,2':6',2''-Terpyridine]-6,6''-dicarboxylic acid
OR1033268	6,6'-Dimethoxy-2,2'-bipyridine
OR74254-01	[2,2'-Bipyridine]-6,6'-dicarbaldehyde
BUP15465-01	6,6'-Dimethyl-2,2'-dipyridyl
OR480665-01	1,2,2,6,6-Pentamethylpiperidine

Catalog	Name
T4406-01	2,6-Dimethylbenzoquinone
MBS3608729-01	2, 6-Dimethylbenzoquinone
D37900-01	2,6-Dimethylbenzoquinone 99%
sc-275505	2,6-Dimethylbenzoquinone 4-oxime
419838-01	2,3-Dimethylbenzoquinone
sc-227106	6,6''-Dibromo-2,2':6',2''-terpyridine
FT00342-01	2,2,6,6-Tetramethylpiperidine
sc-343346	2,2,6,6-tetrafluoromorpholine
2564-83-2-01	2,2,6,6-Tetramethylpiperidinooxy
UAA15169-01	2,2,6,6-Tetramethylmorpholine