Products for Research Use Only

4- (Hydroxymethyl) phenol pivalate

CAT: 0013-GTR19214838-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19214838-01Size:5 mg
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Description
This product is a fine chemical intermediate and building block for research applications. It is utilized in the synthesis of more complex molecules for in vitro biochemical assays and in vivo pharmacological studies across various fields, including medicinal chemistry and chemical biology.
CAS Number
59012-91-8
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (C) C (=O) Oc1ccc (CO) cc1
Molecular Formula
C12H16O3
Molecular Weight
208.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Hydroxymethyl)phenyl pivalate

See also: 4-(Hydroxymethyl)phenyl] 2,2-dimethylpropanoate (annotation moved to).

CAS Number59012-91-8
PubChem CID11600913
IUPAC Name[4-(hydroxymethyl)phenyl] 2,2-dimethylpropanoate
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP2.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity209
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)CO
InChI
InChI=1S/C12H16O3/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-7,13H,8H2,1-3H3
InChIKey
AYTDWGYFYZIASM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Hydroxymethyl)phenyl pivalate
CAS: 59012-91-8
CID: 11600913
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity209
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