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4'-Butylacetophenone

CAT: 0013-GTR19254965-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254965-02Size:100 mg
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Description
4'-Butylacetophenoneis a high purity biochemical reagent that can be used in research related to life sciences.
CAS Number
37920-25-5
Smiles
O=C (C1=CC=C (C=C1) CCCC) C
Molecular Formula
C12H16O
Molecular Weight
176.26
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

Ethanone, 1-(4-butylphenyl)-
CAS Number37920-25-5
PubChem CID123470
IUPAC Name1-(4-butylphenyl)ethanone
Molecular FormulaC12H16O
Molecular Weight176.25
XLogP3.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
CCCCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3
InChIKey
MQESVSITPLILCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 1-(4-butylphenyl)-
CAS: 37920-25-5
CID: 123470
Formula: C12H16O
MW: 176.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.25
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass176.120115130
Monoisotopic Mass176.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
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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