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Trimethyl orthobeznoate

CAT: 0013-GTR19202327Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202327Size:5 mg
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Description
Trimethyl orthobenzoate is a chemical reagent used in biochemical research. It serves as a versatile building block in organic synthesis for creating benzoate derivatives, with applications in both in vitro studies and the development of pharmaceutical intermediates.
CAS Number
707-07-3
Smiles
COC (OC) (OC) c1ccccc1
Molecular Formula
C10H14O3
Molecular Weight
182.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trimethyl orthobeznoate
CAS Number707-07-3
PubChem CID69720
IUPAC Nametrimethoxymethylbenzene
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP2.3
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity129
SMILES
COC(C1=CC=CC=C1)(OC)OC
InChI
InChI=1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
IECKAVQTURBPON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethyl orthobeznoate
CAS: 707-07-3
CID: 69720
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area27.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity129
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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