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P-Valerylphenol

CAT: 1410-M27261-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M27261-06Size:100 mg
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Description
P-Valerylphenol can be used to synthesize acylphenoxyacetic acid compounds.
CAS Number
2589-71-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
178.231
Molecular Formula
C11H14O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

4-Valerylphenol
CAS Number2589-71-1
PubChem CID75766
IUPAC Name1-(4-hydroxyphenyl)pentan-1-one
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
CCCCC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
InChIKey
ZKCJJGOOPOIZTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Valerylphenol
CAS: 2589-71-1
CID: 75766
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area37.3 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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