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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O3
Molecular Weight 164.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Acetylsalicylaldehyde

SMILES

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

InChI

InChIKey=JBZKDSMJNITUIW-UHFFFAOYSA-N
InChI=1S/C9H8O3/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-5,12H,1H3

HIDE SMILES / InChI

Molecular Formula C9H8O3
Molecular Weight 164.158
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 12:29:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:29:15 GMT 2023
Record UNII
24HF2E4ZAV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Acetylsalicylaldehyde
Systematic Name English
5-Acetyl-2-hydroxybenzaldehyde
Systematic Name English
Benzaldehyde, 5-acetyl-2-hydroxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40218945
Created by admin on Sat Dec 16 12:29:16 GMT 2023 , Edited by admin on Sat Dec 16 12:29:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
272-438-2
Created by admin on Sat Dec 16 12:29:16 GMT 2023 , Edited by admin on Sat Dec 16 12:29:16 GMT 2023
PRIMARY
PUBCHEM
3085391
Created by admin on Sat Dec 16 12:29:16 GMT 2023 , Edited by admin on Sat Dec 16 12:29:16 GMT 2023
PRIMARY
CAS
68840-08-4
Created by admin on Sat Dec 16 12:29:16 GMT 2023 , Edited by admin on Sat Dec 16 12:29:16 GMT 2023
PRIMARY
FDA UNII
24HF2E4ZAV
Created by admin on Sat Dec 16 12:29:16 GMT 2023 , Edited by admin on Sat Dec 16 12:29:16 GMT 2023
PRIMARY