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Details

Stereochemistry RACEMIC
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXYLCYCLOPROPANEACETIC ACID, TRANS-

SMILES

CCCCCC[C@@H]1C[C@H]1CC(O)=O

InChI

InChIKey=DSMAUFFXECFFMC-ZJUUUORDSA-N
InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:30 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:30 GMT 2023
Record UNII
T3WVU94YXP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXYLCYCLOPROPANEACETIC ACID, TRANS-
Systematic Name English
CASCARILLIC ACID, (±)-
Systematic Name English
CYCLOPROPANEACETIC ACID, 2-HEXYL-, TRANS-
Systematic Name English
CYCLOPROPANEACETIC ACID, 2-HEXYL-, (1R,2S)-REL-
Systematic Name English
Code System Code Type Description
CAS
87679-85-4
Created by admin on Sat Dec 16 15:12:30 GMT 2023 , Edited by admin on Sat Dec 16 15:12:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID70458675
Created by admin on Sat Dec 16 15:12:30 GMT 2023 , Edited by admin on Sat Dec 16 15:12:30 GMT 2023
PRIMARY
FDA UNII
T3WVU94YXP
Created by admin on Sat Dec 16 15:12:30 GMT 2023 , Edited by admin on Sat Dec 16 15:12:30 GMT 2023
PRIMARY
PUBCHEM
11206201
Created by admin on Sat Dec 16 15:12:30 GMT 2023 , Edited by admin on Sat Dec 16 15:12:30 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE