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4-Butoxyphenol

CAT: 0572-TRC-B690590-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B690590-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
122-94-1
Synonyms
p-Butoxyphenol; 4-n-Butoxyphenol; Hydroquinone Butyl Ether; Hydroquinone Monobutyl Ether; NSC 60292; p-Butoxyphenol;
Hazard Statement
No Data Available
Smiles
CCCCOc1ccc(O)cc1
Molecular Formula
C10H14O2
Molecular Weight
166.22
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

4-Butoxyphenol

4-Butoxyphenol is an aromatic ether.

CAS Number122-94-1
PubChem CID31233
IUPAC Name4-butoxyphenol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity106
SMILES
CCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
InChIKey
MBGGFXOXUIDRJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Butoxyphenol
CAS: 122-94-1
CID: 31233
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity106
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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