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(4-Ethoxyphenyl) acetone

CAT: 0926-FE69997-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FE69997-01Size:1 g
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CAS Number
144818-72-4
MDL Number
MFCD00210427
Smiles
CCOC1=CC=C (C=C1) CC (=O) C
Molecular Formula
C11H14O2
Molecular Weight
178.23 g/mol
Controlled
No

Chemical Information

1-(4-Ethoxyphenyl)acetone
CAS Number144818-72-4
PubChem CID572335
IUPAC Name1-(4-ethoxyphenyl)propan-2-one
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
CCOC1=CC=C(C=C1)CC(=O)C
InChI
InChI=1S/C11H14O2/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7H,3,8H2,1-2H3
InChIKey
QFAYQKVAKVNBNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Ethoxyphenyl)acetone
CAS: 144818-72-4
CID: 572335
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
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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