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5'-Ethyl-2'-hydroxyacetophenone

CAT: 0127-OR928508-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR928508-02Size:1 g
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CAS Number
24539-92-2
MDL Number
MFCD00053308
Purity
98%
Smiles
CCc1ccc(O)c(c1)C(=O)C

Chemical Information

5'-Ethyl-2'-hydroxyacetophenone
CAS Number24539-92-2
PubChem CID2758850
IUPAC Name1-(5-ethyl-2-hydroxyphenyl)ethanone
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
CCC1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C10H12O2/c1-3-8-4-5-10(12)9(6-8)7(2)11/h4-6,12H,3H2,1-2H3
InChIKey
GSTOHKXQBZZTPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Ethyl-2'-hydroxyacetophenone
CAS: 24539-92-2
CID: 2758850
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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FE53818-015'-Ethyl-2'-hydroxyacetophenone
E109205-Ethyl-2-hydroxyacetophenone 95%
234427-015'-Ethyl-2'-hydroxyacetophenone ≥93% (GC)
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