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3-tert-Butylphenol

CAT: 0013-GTR19255049Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19255049Size:5 g
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Description
3-tert-Butylphenol is a phenol derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
585-34-2
Field of Research
Signal Transduction
Purity
99.84% (May vary between batches)
Smiles
OC1=CC=CC (=C1) C (C) (C) C
Molecular Formula
C10H14O
Molecular Weight
150.22
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

Phenol, 3-(1,1-dimethylethyl)-

3-tert-Butylphenol is an alkylbenzene.

CAS Number585-34-2
PubChem CID11450
IUPAC Name3-tert-butylphenol
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP3.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity123
SMILES
CC(C)(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
InChIKey
CYEKUDPFXBLGHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 3-(1,1-dimethylethyl)-
CAS: 585-34-2
CID: 11450
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity123
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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