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

Details

Stereochemistry MIXED
Molecular Formula C9H12O3
Molecular Weight 168.1898
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ACETO-.BETA.-VINYL-.GAMMA.-VALEROLACTONE

SMILES

CC1OC(=O)C(C1C=C)C(C)=O

InChI

InChIKey=VGUJJUUXBHDZFM-UHFFFAOYSA-N
InChI=1S/C9H12O3/c1-4-7-6(3)12-9(11)8(7)5(2)10/h4,6-8H,1H2,2-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-ACETO-.BETA.-VINYL-.GAMMA.-VALEROLACTONE
Common Name English
2(3H)-FURANONE, 3-ACETYL-4-ETHENYLDIHYDRO-5-METHYL-
Systematic Name English
3-ACETYL-4-ETHENYLDIHYDRO-5-METHYL-2(3H)-FURANONE
Systematic Name English
Code System Code Type Description
CAS
3251-21-6
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY
PUBCHEM
160676
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID70954243
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY
FDA UNII
WH8EA4P5EL
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY