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Ethyl 4-acetylbenzoate

CAT: 0024-sc-234993Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-234993Size:1 g
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CAS Number
38430-55-6

Chemical Information

Ethyl 4-acetylbenzoate
CAS Number38430-55-6
PubChem CID600911
IUPAC Nameethyl 4-acetylbenzoate
Molecular FormulaC11H12O3
Molecular Weight192.21
XLogP1.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CCOC(=O)C1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3
InChIKey
GLOAPLPTWAXAIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-acetylbenzoate
CAS: 38430-55-6
CID: 600911
Formula: C11H12O3
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass192.078644241
Monoisotopic Mass192.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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

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