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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O
Molecular Weight 188.2655
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3,5,7-TETRAMETHYL-1-INDANONE

SMILES

CC1=CC(C)=C2C(=O)CC(C)(C)C2=C1

InChI

InChIKey=AJBDZJRXIGPVIO-UHFFFAOYSA-N
InChI=1S/C13H16O/c1-8-5-9(2)12-10(6-8)13(3,4)7-11(12)14/h5-6H,7H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3,3,5,7-TETRAMETHYL-1-INDANONE
Systematic Name English
1H-INDEN-1-ONE, 2,3-DIHYDRO-3,3,5,7-TETRAMETHYL-
Preferred Name English
Code System Code Type Description
CAS
54789-23-0
Created by admin on Wed Apr 02 00:31:41 GMT 2025 , Edited by admin on Wed Apr 02 00:31:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID60344811
Created by admin on Wed Apr 02 00:31:41 GMT 2025 , Edited by admin on Wed Apr 02 00:31:41 GMT 2025
PRIMARY
FDA UNII
JNM5G3HW3W
Created by admin on Wed Apr 02 00:31:41 GMT 2025 , Edited by admin on Wed Apr 02 00:31:41 GMT 2025
PRIMARY
PUBCHEM
599690
Created by admin on Wed Apr 02 00:31:41 GMT 2025 , Edited by admin on Wed Apr 02 00:31:41 GMT 2025
PRIMARY
NIH
NCATS
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