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4-(2,2-Dimethylpropyl)-phenol

CAT: 0572-TRC-D481680-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D481680-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2316-92-9
Hazard Statement
No Data Available
Smiles
CC(C)(C)Cc1ccc(O)cc1
Molecular Formula
C11 H16 O
Molecular Weight
164.244
InChI
InChI=1S/C11H16O/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
Additionnal Information
IUPAC name: 4-(2,2-dimethylpropyl)phenol
Shipping Conditions
Room Temperature

Chemical Information

4-(2,2-Dimethylpropyl)phenol
CAS Number2316-92-9
PubChem CID75343
IUPAC Name4-(2,2-dimethylpropyl)phenol
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity126
SMILES
CC(C)(C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C11H16O/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
InChIKey
ICTHGQKQYABWMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,2-Dimethylpropyl)phenol
CAS: 2316-92-9
CID: 75343
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass164.120115130
Monoisotopic Mass164.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity126
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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CatalogName
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AQ NN 0224-012- (2,2-dimethylpropyl) -4-phenylquinoline
BZB19088-01N- (2,2-Dimethylpropyl) -4-ethylaniline
RG-E141174-011- (2,2-Dimethylpropyl) -4-methoxybenzene
OR1049024-014- (2,2-Dimethylpropyl) benzoic acid
2245340-46-7-01Pyridine, 2- (4-dibenzofuranyl) -4- (2,2-dimethylpropyl) -
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