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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O4
Molecular Weight 180.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Acetylsalicylic acid

SMILES

CC(=O)C1=CC(C(O)=O)=C(O)C=C1

InChI

InChIKey=NZRDKNBIPVLNHA-UHFFFAOYSA-N
InChI=1S/C9H8O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H8O4
Molecular Weight 180.1574
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:23:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:41 GMT 2023
Record UNII
T75Z3S63DL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Acetylsalicylic acid
Systematic Name English
5-Acetyl-2-hydroxybenzoic acid
Systematic Name English
Benzoic acid, 5-acetyl-2-hydroxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
83151
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-037-6
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID20156896
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
FDA UNII
T75Z3S63DL
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
CAS
13110-96-8
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY