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Details

Stereochemistry RACEMIC
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ETHYL-.ALPHA.,.ALPHA.-DIMETHYL-2-BENZOFURANPROPANOIC ACID

SMILES

CCC(C1=CC2=C(O1)C=CC=C2)C(C)(C)C(O)=O

InChI

InChIKey=DKKKSMSZSDVSSS-UHFFFAOYSA-N
InChI=1S/C15H18O3/c1-4-11(15(2,3)14(16)17)13-9-10-7-5-6-8-12(10)18-13/h5-9,11H,4H2,1-3H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C15H18O3
Molecular Weight 246.3016
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 22:03:33 GMT 2025
Edited
by admin
on Mon Mar 31 22:03:33 GMT 2025
Record UNII
VRS92F4K5X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BENZOFURANPROPANOIC ACID, ALPHA,ALPHA-DIMETHYL-BETA-ETHYL-
Preferred Name English
.BETA.-ETHYL-.ALPHA.,.ALPHA.-DIMETHYL-2-BENZOFURANPROPANOIC ACID
Systematic Name English
2-BENZOFURANPROPANOIC ACID, .BETA.-ETHYL-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40992970
Created by admin on Mon Mar 31 22:03:33 GMT 2025 , Edited by admin on Mon Mar 31 22:03:33 GMT 2025
PRIMARY
FDA UNII
VRS92F4K5X
Created by admin on Mon Mar 31 22:03:33 GMT 2025 , Edited by admin on Mon Mar 31 22:03:33 GMT 2025
PRIMARY
CAS
72236-76-1
Created by admin on Mon Mar 31 22:03:33 GMT 2025 , Edited by admin on Mon Mar 31 22:03:33 GMT 2025
PRIMARY
PUBCHEM
51560
Created by admin on Mon Mar 31 22:03:33 GMT 2025 , Edited by admin on Mon Mar 31 22:03:33 GMT 2025
PRIMARY