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4-Ethylacetophenone

CAT: 0931-TN9560-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-TN9560-02Size:1 g
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CAS Number
937-30-4
Target
Others
Related Pathways
Others
Purity
0.9745
Bioactivity
4-Ethylacetophenone is an aromatic compound widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(C1=CC=C(C=C1)CC)C
Molecular Formula
C10H12O
Molecular Weight
148.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4'-Ethylacetophenone

P-Ethylacetophenone is an aromatic ketone.

CAS Number937-30-4
PubChem CID13642
IUPAC Name1-(4-ethylphenyl)ethanone
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP2.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity132
SMILES
CCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
InChIKey
NODGRWCMFMEGJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Ethylacetophenone
CAS: 937-30-4
CID: 13642
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity132
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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