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2-tert-Butylphenol

CAT: 0572-TRC-B701375-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B701375-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88-18-6
Hazard Statement
Harmful if swallowed; UN number: UN2927; Packing Group: II
Purity
>95% (HPLC)
Smiles
CC(C)(C)c1ccccc1O
Molecular Formula
C10 H14 O
Molecular Weight
150.22
InChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
Additionnal Information
IUPAC name: 2-tert-butylphenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Tert-Butylphenol

2-tert-Butylphenol is an alkylbenzene.

CAS Number88-18-6
PubChem CID6923
IUPAC Name2-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=C1O
InChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
InChIKey
WJQOZHYUIDYNHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Tert-Butylphenol
CAS: 88-18-6
CID: 6923
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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