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3-tert-Butyl-5-Methoxycatechol

CAT: 0013-GTR19153160-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153160-01Size:10 mg
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Description
3-tert-Butyl-5-Methoxycatechol (also known as 3- (1,1-Dimethylethyl) -5-methoxy-1,2-benzenediol; 3-tert-Butyl-4,5-dihydroxyanisole; CAS number: 80284-15-7) is a compound with a molecular weight of 196.25 Da and a purity of ≥95%.
CAS Number
80284-15-7
Product Name Alternative
3- (1,1-Dimethylethyl) -5-methoxy-1,2-benzenediol; 3-tert-Butyl-4,5-dihydroxyanisole
Field of Research
Signal Transduction
Purity
≥95%
Solubility
Partly soluble in water.
Smiles
CC (C) (C) C1=CC (=CC (=C1O) O) OC
Molecular Formula
C11H16O3
Molecular Weight
196.25
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.
Applications Notes
White/Off-white Crystalline Solid
Other Product Names
3-tert-butyl-5-methoxybenzene-1,2-diol

Chemical Information

3-tert-Butyl-4,5-dihydroxyanisole

metabolite of butylated hydroxyanisole

CAS Number80284-15-7
PubChem CID133433
IUPAC Name3-tert-butyl-5-methoxybenzene-1,2-diol
Molecular FormulaC11H16O3
Molecular Weight196.24
XLogP2.9
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity185
SMILES
CC(C)(C)C1=C(C(=CC(=C1)OC)O)O
InChI
InChI=1S/C11H16O3/c1-11(2,3)8-5-7(14-4)6-9(12)10(8)13/h5-6,12-13H,1-4H3
InChIKey
CDUDTAOIPVCWDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-tert-Butyl-4,5-dihydroxyanisole
CAS: 80284-15-7
CID: 133433
Formula: C11H16O3
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass196.109944368
Monoisotopic Mass196.109944368
Topological Polar Surface Area49.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity185
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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