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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O
Molecular Weight 174.239
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Isopropyl-1-indanone

SMILES

CC(C)C1CC2=C(C=CC=C2)C1=O

InChI

InChIKey=WBCAKNRIXCUKPZ-UHFFFAOYSA-N
InChI=1S/C12H14O/c1-8(2)11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,11H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H14O
Molecular Weight 174.239
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:55 GMT 2025
Record UNII
AT4LVT64TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-
Preferred Name English
2-Isopropyl-1-indanone
Systematic Name English
2,3-Dihydro-2-(1-methylethyl)-1H-inden-1-one
Systematic Name English
2-Isopropylindan-1-one
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
258-558-8
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
CAS
53446-63-2
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID50866335
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
FDA UNII
AT4LVT64TJ
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
PUBCHEM
103784
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE