2',4'-Diethoxyacetophenone

CAT: 0127-OR1055769-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055769-01Size:250 mg

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CAS Number

22924-18-1

MDL Number

MFCD00238582

Purity

97%

Smiles

CC(C1=CC=C(OCC)C=C1OCC)=O

Chemical Information

1-(2,4-Diethoxyphenyl)ethanone

CAS Number	22924-18-1
PubChem CID	586415
IUPAC Name	1-(2,4-diethoxyphenyl)ethanone
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.5
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	203

SMILES

CCOC1=CC(=C(C=C1)C(=O)C)OCC

InChI

InChI=1S/C12H16O3/c1-4-14-10-6-7-11(9(3)13)12(8-10)15-5-2/h6-8H,4-5H2,1-3H3

InChIKey

HVMNBJVJMFQOOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22924-18-1

CID: 586415

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203
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
OR18102-01	2,2-Diethoxyacetophenone
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
OR84284-01	4,4',4''-Trimethyl-2,2':6',2''-terpyridine

Catalog	Name
sc-231263	2',4'-Diethoxyacetophenone
sc-487837A	2,2-Diethoxyacetophenone
sc-225829	2',5'-Diethoxyacetophenone
sc-225833	2',6'-Diethoxyacetophenone
D19180-01	A a-Diethoxyacetophenone 98%
sc-226337	3',5'-Diethoxyacetophenone
FD71094-01	3,5-Diethoxyacetophenone
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone