Products for Research Use Only
RegisterLogin

3'-Acetoxyacetophenone

CAT: 0127-OR8785-02Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR8785-02Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2454-35-5
Synonyms
3-Acetylphenyl acetate
MDL Number
MFCD00017227
Purity
98%
Smiles
CC(=O)OC1=CC=CC(=C1)C(C)=O

Chemical Information

m-Acetylphenyl acetate
CAS Number2454-35-5
PubChem CID75563
IUPAC Name(3-acetylphenyl) acetate
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP1.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity210
SMILES
CC(=O)C1=CC(=CC=C1)OC(=O)C
InChI
InChI=1S/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3
InChIKey
OTHYPAMNTUGKDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Acetylphenyl acetate
CAS: 2454-35-5
CID: 75563
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
OR936566-012-Acetoxyacetophenone
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC1007482-013,3,3-Trifluoropropanehydrazide
PC4452-013,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-013,3,3-Trifluoropropylamine
OR1043029-013,3',3''-Nitrilotripropanamide
OR89892-013,3',3''-Nitrilotripropanenitrile
PC9016253,3,3-Trifluoropropanamide
OR1060769-013,3',3''-Phosphanetriyltriphenol
PC4553-013,3,3-Trifluoropropanenitrile

Alternative Products

CatalogName
FA50803-013'-Acetoxyacetophenone
0011733-Acetoxymethyl-4-acetoxyacetophenone
sc-265336B2-Acetoxyacetophenone
TRC-A012100-5Gp-Acetoxyacetophenone
sc-4727672'-Acetoxyacetophenone
232351-013'-Acetoxyacetophenone 99+% (GC)
AR-A01249-01Alpha-bromo-3'-acetoxyacetophenone
FA70736-014-Acetoxyacetophenone
sc-4720264'-Acetoxyacetophenone
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine

Popular Products