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Methyl 2,6-dihydroxybenzoate

CAT: 1410-M31305-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M31305-01Size:100 mg
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Description
Methyl 2,6-dihydroxybenzoate is a natural product from Uvaria purpurea.
CAS Number
2150-45-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
168.2
Molecular Formula
C8H8O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Methyl 2,6-dihydroxybenzoate

Methyl 2,6-dihydroxybenzoate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number2150-45-0
PubChem CID519869
IUPAC Namemethyl 2,6-dihydroxybenzoate
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity158
SMILES
COC(=O)C1=C(C=CC=C1O)O
InChI
InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3
InChIKey
WCQZCKUNZVMBDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,6-dihydroxybenzoate
CAS: 2150-45-0
CID: 519869
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity158
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