2,7-dimethylanthracene-9,10-dione

CAT: 1731-AP KR 0142-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AP KR 0142-01Size:1 mg

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CAS Number

3286-01-9

MDL Number

MFCD00228869

Purity

0.95

Smiles

Cc1ccc2c (c1) C (=O) c1cc (C) ccc1C2=O

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

2,7-Dimethylanthraquinone

CAS Number	3286-01-9
PubChem CID	2748264
IUPAC Name	2,7-dimethylanthracene-9,10-dione
Molecular Formula	C16H12O2
Molecular Weight	236.26
XLogP	4.3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	341

SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C16H12O2/c1-9-3-5-11-13(7-9)16(18)14-8-10(2)4-6-12(14)15(11)17/h3-8H,1-2H3

InChIKey

RATJDSXPVPAWJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3286-01-9

CID: 2748264

Formula: C16H12O2

MW: 236.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.26
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	236.083729621
Monoisotopic Mass	236.083729621
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	341
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
AP KR 0185-01	1-hydroxy-2,3-dimethylanthracene-9,10-dione
AP KB 0001-01	1,4-dihydroxy-2,3-dimethylanthracene-9,10-dione
AP KR 0246-01	1-hydroxy-8-methoxy-2,3-dimethylanthracene-9,10-dione
AP KR 0334-01	9,10-dimethoxy-2,6-dimethylanthracene
AP KR 0237-01	1,8-dihydroxy-3,6-dimethylanthracene-9,10-dione
AP KR 0512-01	1,4-dihydroxy-5-methoxy-2,3-dimethylanthracene-9,10-dione
AP KR 0183-01	8-hydroxy-1,2-dimethoxy-3,6-dimethylanthracene-9,10-dione
AP KR 0192-01	1,8-dihydroxy-2-methoxy-3,6-dimethylanthracene-9,10-dione
AP KR 0209-01	2-[ (2S) -2-hydroxy-2-methylpent-4-enyl]-1,4-dimethylanthracene-9,10-dione
AP KR 0138-01	2-methylanthracene-9,10-dione

Catalog	Name
RG-D091369-01	1,4-Dimethylanthracene-9,10-Dione
TN9520-01	9,10-Dimethylanthracene
sc-217538	9,10-Dichloro-2,6 (7) -dimethylanthracene
MBS6059172-01	9,10-Dihydro-2,6(7)-dimethylanthracene
D3570-55	9,10-Dihydro-2,6 (7) -dimethylanthracene
MBS6041360-01	9,10-Dichloro-2,6(7)-dimethylanthracene
OR1074143-01	2-Bromo-9,10-dimethylanthracene
OR93278-01	9,10-Dimethylanthracene-2,3,6,7-tetraol
OR81768-01	2,3,6,7-Tetramethoxy-9,10-dimethylanthracene
D3530-80	9,10-Dichloro-2,6-dimethylanthracene