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

Details

Stereochemistry RACEMIC
Molecular Formula C9H12O3
Molecular Weight 168.1898
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-IPOMEANOL

SMILES

CC(=O)CCC(O)C1=COC=C1

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
1-IPOMEANOL
Common Name English
(±)-1-IPOMEANOL
Common Name English
2-PENTANONE, 5-(3-FURANYL)-5-HYDROXY-
Systematic Name English
5-(3-FURYL)-5-HYDROXY-2-PENTANONE
Systematic Name English
Code System Code Type Description
CAS
34435-70-6
Created by admin on Sat Dec 16 07:55:24 GMT 2023 , Edited by admin on Sat Dec 16 07:55:24 GMT 2023
PRIMARY
PUBCHEM
161819
Created by admin on Sat Dec 16 07:55:24 GMT 2023 , Edited by admin on Sat Dec 16 07:55:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID00955985
Created by admin on Sat Dec 16 07:55:24 GMT 2023 , Edited by admin on Sat Dec 16 07:55:24 GMT 2023
PRIMARY
FDA UNII
8V19Z051YG
Created by admin on Sat Dec 16 07:55:24 GMT 2023 , Edited by admin on Sat Dec 16 07:55:24 GMT 2023
PRIMARY