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Methyl acetylsalicylate

CAT: 0013-GTR19165446-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19165446-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Methyl acetylsalicylate
CAS Number
580-02-9
Product Name Alternative
Methyl acetylsalicylate, ACETYLSALICYLIC ACID METHYL ESTER
Purity
98.88% (May vary between batches)
Solubility
DMSO:25 mg/mL (128.75 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (10.3 mM)
Smiles
COC (=O) c1ccccc1OC (C) =O
Molecular Formula
C10H10O4
Molecular Weight
194.18
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Methyl acetylsalicylic acid

has less gastrointestinal side effects than aspirin; structure in Merck Index, 9th ed, #5886

CAS Number580-02-9
PubChem CID68484
IUPAC Namemethyl 2-acetyloxybenzoate
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity224
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3
InChIKey
ONWPLBKWMAUFGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl acetylsalicylic acid
CAS: 580-02-9
CID: 68484
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity224
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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