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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3S
Molecular Weight 198.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLSULFONYLACETOPHENONE

SMILES

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

InChI

InChIKey=KAVZYDHKJNABPC-UHFFFAOYSA-N
InChI=1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10O3S
Molecular Weight 198.239
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 09:49:41 UTC 2023
Edited
by admin
on Sat Dec 16 09:49:41 UTC 2023
Record UNII
9D65F147ZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLSULFONYLACETOPHENONE
Common Name English
ETORICOXIB RELATED COMPOUND A
Common Name English
P-ACETYLPHENYL METHYL SULFONE
Common Name English
NSC-403928
Code English
4-METHYLSULFONYL ACETOPHENONE
Common Name English
1-(4-(METHYLSULFONYL)PHENYL)-ETHANONE
Systematic Name English
P-METHYLSULFONYLACETOPHENONE
Common Name English
4'-(METHYLSULFONYL)ACETOPHENONE
Systematic Name English
Code System Code Type Description
NSC
403928
Created by admin on Sat Dec 16 09:49:41 UTC 2023 , Edited by admin on Sat Dec 16 09:49:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
233-672-0
Created by admin on Sat Dec 16 09:49:41 UTC 2023 , Edited by admin on Sat Dec 16 09:49:41 UTC 2023
PRIMARY
CAS
10297-73-1
Created by admin on Sat Dec 16 09:49:41 UTC 2023 , Edited by admin on Sat Dec 16 09:49:41 UTC 2023
PRIMARY
FDA UNII
9D65F147ZN
Created by admin on Sat Dec 16 09:49:41 UTC 2023 , Edited by admin on Sat Dec 16 09:49:41 UTC 2023
PRIMARY
PUBCHEM
82529
Created by admin on Sat Dec 16 09:49:41 UTC 2023 , Edited by admin on Sat Dec 16 09:49:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID70145593
Created by admin on Sat Dec 16 09:49:41 UTC 2023 , Edited by admin on Sat Dec 16 09:49:41 UTC 2023
PRIMARY
Related Record Type Details
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