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Details

Stereochemistry RACEMIC
Molecular Formula C6H8O2
Molecular Weight 112.1265
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Parasorbic acid, (±)-

SMILES

CC1CC=CC(=O)O1

InChI

InChIKey=DYNKRGCMLGUEMN-UHFFFAOYSA-N
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H8O2
Molecular Weight 112.1265
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 18:46:51 GMT 2023
Edited
by admin
on Sat Dec 16 18:46:51 GMT 2023
Record UNII
JB2SVU863U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Parasorbic acid, (±)-
Common Name English
5-Hydroxy-2-hexenoic acid lactone
Systematic Name English
5,6-Dihydro-6-methyl-2H-pyran-2-one
Systematic Name English
2-Hexen-5-olide
Common Name English
DL-Parasorbic acid
Common Name English
6-Methyl-5,6-dihydropyran-2-one
Systematic Name English
5-Hydroxyhex-2-enoic acid δ-lactone
Systematic Name English
NSC-24508
Code English
2H-Pyran-2-one, 5,6-dihydro-6-methyl-
Systematic Name English
(±)-Parasorbic acid
Common Name English
Code System Code Type Description
NSC
24508
Created by admin on Sat Dec 16 18:46:52 GMT 2023 , Edited by admin on Sat Dec 16 18:46:52 GMT 2023
PRIMARY
CAS
108-54-3
Created by admin on Sat Dec 16 18:46:52 GMT 2023 , Edited by admin on Sat Dec 16 18:46:52 GMT 2023
PRIMARY
FDA UNII
JB2SVU863U
Created by admin on Sat Dec 16 18:46:52 GMT 2023 , Edited by admin on Sat Dec 16 18:46:52 GMT 2023
PRIMARY
PUBCHEM
24869
Created by admin on Sat Dec 16 18:46:52 GMT 2023 , Edited by admin on Sat Dec 16 18:46:52 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE