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5'- (tert-Butyl) -2'-hydroxyacetophenone

CAT: 0127-OR55007-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR55007-01Size:100 mg
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CAS Number
57373-81-6
Synonyms
1-[5- (tert-Butyl) -2-hydroxyphenyl]ethan-1-one, 2-Acetyl-4- (tert-butyl) phenol
MDL Number
MFCD01098849
Purity
97%
Smiles
CC(=O)c1cc(ccc1O)C(C)(C)C

Chemical Information

1-(5-Tert-butyl-2-hydroxyphenyl)ethan-1-one
CAS Number57373-81-6
PubChem CID263092
IUPAC Name1-(5-tert-butyl-2-hydroxyphenyl)ethanone
Molecular FormulaC12H16O2
Molecular Weight192.25
XLogP3.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CC(=O)C1=C(C=CC(=C1)C(C)(C)C)O
InChI
InChI=1S/C12H16O2/c1-8(13)10-7-9(12(2,3)4)5-6-11(10)14/h5-7,14H,1-4H3
InChIKey
XOCANIQKLIKENC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Tert-butyl-2-hydroxyphenyl)ethan-1-one
CAS: 57373-81-6
CID: 263092
Formula: C12H16O2
MW: 192.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.25
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass192.115029749
Monoisotopic Mass192.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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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FD67315-013,5-Di-tert-butyl-4'-hydroxyacetophenone
sc-2670063',5'-Di-tert-butyl-4'-hydroxyacetophenone
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