1-Hydroxy-3-methylanthraquinone

CAT: 0024-sc-490651Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490651Size:100 mg

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CAS Number

2549-78-2

Chemical Information

9,10-Anthracenedione, 1-hydroxy-3-methyl-

Pachybasin is an anthraquinone.

CAS Number	2549-78-2
PubChem CID	164982
IUPAC Name	1-hydroxy-3-methylanthracene-9,10-dione
Molecular Formula	C15H10O3
Molecular Weight	238.24
XLogP	3.9
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	376

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3

InChIKey

AFHWNNJNTNLCQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2549-78-2

CID: 164982

Formula: C15H10O3

MW: 238.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	238.062994177
Monoisotopic Mass	238.062994177
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	376
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
sc-491064	2-Hydroxy-3-methylanthraquinone
sc-230542	2-Methylanthraquinone
sc-222658	1-Amino-4-bromo-2-methylanthraquinone
sc-495374	Rac-[1- (1α,3α,4β) ]-3-Hydroxy-4- (1-hydroxy-1-methylethyl) -cyclohexanecarboxylic Acid
sc-487996	1-Hydroxy-3-nitrodeamino Fingolimod
sc-490540	4-Hydroxy-1,3-benzenedicarbonitrile
sc-491376	3-Hydroxy-1-methylpyridinium Iodide
sc-486643	3- (4-Hydroxy-3-methoxyphenyl) -1-propanol
sc-486717	1,3-Bis (3-hydroxy-3-pentyl) benzene
sc-278517	6-Hydroxy-1-phenylhexane-1,3-dione

Catalog	Name
CAA54978-01	1-Hydroxy-3-methylanthraquinone
TN1211	2-Hydroxy-3-methylanthraquinone
GTR19183645	1-Hydroxy-2-methylanthraquinone
D29770-01	1,8-Dihydroxy-3-methylanthraquinone
591956	2-Methylanthraquinone
OR1077962	1-Amino-2-methylanthraquinone
T124380-01	3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic a
M39796	3,8-dihydroxy-1-methylanthraquinone-2-carboxylicacid