U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O3
Molecular Weight 154.1632
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4H-PYRAN-4-ONE, 3-HYDROXY-2-(1-METHYLETHYL)-

SMILES

CC(C)C1=C(O)C(=O)C=CO1

InChI

InChIKey=ONIMUPYFIMWJFC-UHFFFAOYSA-N
InChI=1S/C8H10O3/c1-5(2)8-7(10)6(9)3-4-11-8/h3-5,10H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H10O3
Molecular Weight 154.1632
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:49:41 GMT 2025
Edited
by admin
on Mon Mar 31 19:49:41 GMT 2025
Record UNII
L1N28X38PG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-PYRAN-4-ONE, 3-HYDROXY-2-(1-METHYLETHYL)-
Preferred Name English
Code System Code Type Description
CAS
40311-00-0
Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025
PRIMARY
PUBCHEM
181665
Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID60193321
Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025
PRIMARY
FDA UNII
L1N28X38PG
Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025
PRIMARY