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Acetylsalicylic acid

CAT: 0862-GL2912-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GL2912-100gSize:100 g
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CAS Number
50-78-2
EC Number
200-064-1
MDL Number
MFCD00002430
HS Code
29182200
Purity
99.00%
Molecular Formula
C9H8O4
Molecular Weight
180.15
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Aspirin

Aspirin can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number50-78-2
PubChem CID2244
IUPAC Name2-acetyloxybenzoic acid
Molecular FormulaC9H8O4
Molecular Weight180.16
XLogP1.2
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
CC(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aspirin
CAS: 50-78-2
CID: 2244
Formula: C9H8O4
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass180.04225873
Monoisotopic Mass180.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
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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Alternative Products

CatalogName
A0536-01-01Acetylsalicylic Acid
N2930Nitroso-Acetylsalicylic acid (NO-Acetylsalicylic Acid), Conjugated discontinued
A10107-01Acetylsalicylic acid hydroxyaluminum
A4013-5000Aspirin (Acetylsalicylic acid)
RM-A161914-01Acetylsalicylic Acid-D4
JH1154265-Acetylsalicylic Acid
C8731-250Acetylsalicylic acid lithium
162513Acetylsalicylic Acid-d3
MBS612481-01Acetylsalicylic Acid, Conjugated
3300ACETYLSALICYLIC ACID (Aspirin)

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