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Details

Stereochemistry RACEMIC
Molecular Formula C12H14O
Molecular Weight 174.239
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 3,4,7-TRIMETHYL-1-INDANONE

SMILES

CC1CC(=O)C2=C1C(C)=CC=C2C

InChI

InChIKey=FSBIQEDMEKAAMA-UHFFFAOYSA-N
InChI=1S/C12H14O/c1-7-4-5-8(2)12-10(13)6-9(3)11(7)12/h4-5,9H,6H2,1-3H3

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 Sat Dec 16 14:12:05 GMT 2023
Edited
by admin
on Sat Dec 16 14:12:05 GMT 2023
Record UNII
3MYW0T942R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,7-TRIMETHYL-1-INDANONE
Systematic Name English
2,3-DIHYDRO-3,4,7-TRIMETHYL-1H-INDEN-1-ONE
Systematic Name English
1H-INDEN-1-ONE, 2,3-DIHYDRO-3,4,7-TRIMETHYL-
Systematic Name English
1-INDANONE, 3,4,7-TRIMETHYL-
Systematic Name English
3,4,7-TETRAMETHYL-.ALPHA.-INDANONE
Systematic Name English
Code System Code Type Description
CAS
35322-84-0
Created by admin on Sat Dec 16 14:12:05 GMT 2023 , Edited by admin on Sat Dec 16 14:12:05 GMT 2023
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EPA CompTox
DTXSID00344118
Created by admin on Sat Dec 16 14:12:05 GMT 2023 , Edited by admin on Sat Dec 16 14:12:05 GMT 2023
PRIMARY
FDA UNII
3MYW0T942R
Created by admin on Sat Dec 16 14:12:05 GMT 2023 , Edited by admin on Sat Dec 16 14:12:05 GMT 2023
PRIMARY
PUBCHEM
594541
Created by admin on Sat Dec 16 14:12:05 GMT 2023 , Edited by admin on Sat Dec 16 14:12:05 GMT 2023
PRIMARY