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Ethyl salicylate

CAT: 0013-GTR19156392-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156392-01Size:100 mg
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Description
Ethyl salicylate is a natural product.
CAS Number
118-61-6
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
CCOC (=O) C1=CC=CC=C1O
Molecular Formula
C9H10O3
Molecular Weight
166.1
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ethyl Salicylate

Ethyl salicylate is a hydroxybenzoic acid.

CAS Number118-61-6
PubChem CID8365
IUPAC Nameethyl 2-hydroxybenzoate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
CCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChIKey
GYCKQBWUSACYIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Salicylate
CAS: 118-61-6
CID: 8365
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
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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