4',6'-Dimethoxy-2'-hydroxy-3-methylacetophenone

CAT: 0926-FD68015-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD68015-01Size:50 g

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CAS Number

23121-32-6

MDL Number

MFCD00017290

Smiles

CC1=C (C (=C (C=C1OC) OC) C (=O) C) O

Molecular Formula

C11H14O4

Molecular Weight

210.23 g/mol

Controlled

Chemical Information

Methylxanthoxylin

2'-Hydroxy-4',6'-dimethoxy-3'-methylacetophenone is an aromatic ketone.

CAS Number	23121-32-6
PubChem CID	326186
IUPAC Name	1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	2.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	229

SMILES

CC1=C(C(=C(C=C1OC)OC)C(=O)C)O

InChI

InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3

InChIKey

AAOFJKLTRKOQTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23121-32-6

CID: 326186

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	229
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
FH54824-01	4'-Hydroxy-3'-methylacetophenone
FH33776-01	4'-Hydroxy-2'-methylacetophenone
FH66536-01	2-Hydroxy-4,6-dimethoxy-3,5-dimethylbenzaldehyde
XH183010-01	3-Hydroxy-3',4'-dimethoxy-6-methyl flavone
FH33098-01	2-Hydroxy-5-methylacetophenone
FA70042-01	3-Amino-2-hydroxy-5-methylacetophenone
UCA48006-01	2',6'-Dihydroxy-4'-methoxy-3'-methylacetophenone
FD70399-01	3',4'-Dimethoxy-6'-nitroacetophenone
FD12530-01	3,4-Dimethoxy-6-nitrobenzaldehyde
PDA94329-01	3,6-Dimethoxy-4-methylpyridazine

Catalog	Name
T83413-01	2,2′-Dihydroxy-4,6-dimethoxy-3-methylacetophenone
MBS5825062	2,2'-Dihydroxy-4,6-dimethoxy-3-methylacetophenone
OR70144-01	2'-Hydroxy-6'-methylacetophenone
T206000-01	3'-Hydroxy-4'-Methylacetophenone
TRC-H946870-1G	4'-Hydroxy-3'-methylacetophenone
sc-233116	4'-Hydroxy-2'-methylacetophenone
sc-231252	2'-Hydroxy-4'-methylacetophenone
GTR19277398-01	4′-Hydroxy-2′-methylacetophenone