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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL CYCLOPENTYLMANDELATE, (+)-

SMILES

COC(=O)[C@](O)(C1CCCC1)C2=CC=CC=C2

InChI

InChIKey=FGMUSNHTKNGVQD-CQSZACIVSA-N
InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H18O3
Molecular Weight 234.2909
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:11 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:11 GMT 2023
Record UNII
M0O1VB730R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL CYCLOPENTYLMANDELATE, (+)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, METHYL ESTER, (.ALPHA.S)-
Common Name English
Code System Code Type Description
FDA UNII
M0O1VB730R
Created by admin on Sat Dec 16 10:04:11 GMT 2023 , Edited by admin on Sat Dec 16 10:04:11 GMT 2023
PRIMARY
CAS
860644-54-8
Created by admin on Sat Dec 16 10:04:11 GMT 2023 , Edited by admin on Sat Dec 16 10:04:11 GMT 2023
PRIMARY
PUBCHEM
11149012
Created by admin on Sat Dec 16 10:04:11 GMT 2023 , Edited by admin on Sat Dec 16 10:04:11 GMT 2023
PRIMARY