4,5-Dimethoxy-2-hydroxyacetophenone

CAT: 0926-FD71265-04Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FD71265-04Size:100 g

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CAS Number

20628-06-2

MDL Number

MFCD00017241

Smiles

CC (=O) C1=CC (=C (C=C1O) OC) OC

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

2'-Hydroxy-4',5'-dimethoxyacetophenone

CAS Number	20628-06-2
PubChem CID	706870
IUPAC Name	1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	1.7
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	204

SMILES

CC(=O)C1=CC(=C(C=C1O)OC)OC

InChI

InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3

InChIKey

KEQHBVWVKYHDCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20628-06-2

CID: 706870

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	204
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
FD16078-01	3',5'-Dimethoxy-4'-hydroxyacetophenone
FD70770-01	3,4-Dimethoxy-2-hydroxyacetophenone
HAA29867	5'-Acetamido-2'-hydroxyacetophenone
FE53818-01	5'-Ethyl-2'-hydroxyacetophenone
FB34470-01	5'-Bromo-2'-hydroxyacetophenone
FF36776-01	4'-Fluoro-2'-hydroxyacetophenone
FC10750-01	4'-Chloro-2'-hydroxyacetophenone
FB16431	2-Bromo-4-hydroxyacetophenone
FF53806	5'-Fluoro-2'-hydroxyacetophenone
FA70776-01	5-Amino-2-hydroxyacetophenone

Catalog	Name
sc-238721	3',5'-Dimethoxy-4'-hydroxyacetophenone
55158774-5g	3',5-Dimethoxy-4'-hydroxyacetophenone
GK4078-5g	3'',5-Dimethoxy-4''-hydroxyacetophenone
abx082212	3′, 5′-Dimethoxy-4′-hydroxyacetophenone
GTR19256256-01	2,6-Dimethoxy-4-hydroxyacetophenone
OR8813-01	3',4'-Dimethoxy-2'-hydroxyacetophenone
D34540-01	3,5-Dimethoxy-4-hydroxyacetophenone 97%
232376-01	3',5'-dimethoxy-4'-hydroxyacetophenone 98+% (GC)
OR22022	3,6-Dimethoxy-2-hydroxyacetophenone
OR345084-01	4',5'-Dimethyl-2'-hydroxyacetophenone