2-Acetoxyacetophenone

CAT: 0127-OR936566-03Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR936566-03Size:500 g

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CAS Number

7250-94-4

MDL Number

MFCD00017223

Purity

98%

Smiles

CC(=O)Oc1ccccc1C(=O)C

Chemical Information

2-Acetylphenyl acetate

CAS Number	7250-94-4
PubChem CID	16716
IUPAC Name	(2-acetylphenyl) acetate
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	0.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	210

SMILES

CC(=O)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C10H10O3/c1-7(11)9-5-3-4-6-10(9)13-8(2)12/h3-6H,1-2H3

InChIKey

WWEDAIJJBDFOOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7250-94-4

CID: 16716

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	210
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
OR8785-01	3'-Acetoxyacetophenone
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate

Catalog	Name
sc-265336B	2-Acetoxyacetophenone
sc-472767	2'-Acetoxyacetophenone
TRC-A012100-5G	p-Acetoxyacetophenone
FA70736-01	4-Acetoxyacetophenone
FA50803-01	3'-Acetoxyacetophenone
sc-472026	4'-Acetoxyacetophenone
001173	3-Acetoxymethyl-4-acetoxyacetophenone
232351-01	3'-Acetoxyacetophenone 99+% (GC)
AR-A01249-01	Alpha-bromo-3'-acetoxyacetophenone
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt