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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14O7
Molecular Weight 234.2033
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOPROPYL CITRATE

SMILES

CC(C)OC(=O)C(O)(CC(O)=O)CC(O)=O

InChI

InChIKey=VRBUFFFVTDWWMY-UHFFFAOYSA-N
InChI=1S/C9H14O7/c1-5(2)16-8(14)9(15,3-6(10)11)4-7(12)13/h5,15H,3-4H2,1-2H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-ISOPROPYL CITRATE
Common Name English
2-ISOPROPYL DIHYDROGEN CITRATE
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 2-(1-METHYLETHYL) ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00274148
Created by admin on Sat Dec 16 08:34:08 GMT 2023 , Edited by admin on Sat Dec 16 08:34:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
281-490-5
Created by admin on Sat Dec 16 08:34:08 GMT 2023 , Edited by admin on Sat Dec 16 08:34:08 GMT 2023
PRIMARY
PUBCHEM
57483158
Created by admin on Sat Dec 16 08:34:08 GMT 2023 , Edited by admin on Sat Dec 16 08:34:08 GMT 2023
PRIMARY
FDA UNII
GR0934P0DP
Created by admin on Sat Dec 16 08:34:08 GMT 2023 , Edited by admin on Sat Dec 16 08:34:08 GMT 2023
PRIMARY
CAS
83966-24-9
Created by admin on Sat Dec 16 08:34:08 GMT 2023 , Edited by admin on Sat Dec 16 08:34:08 GMT 2023
PRIMARY