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

Details

Stereochemistry RACEMIC
Molecular Formula C9H14O7
Molecular Weight 234.2033
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-ISOPROPYL CITRATE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C9H14O7
Molecular Weight 234.2033
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 08:39:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:27 GMT 2023
Record UNII
0GG8VH216P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-ISOPROPYL CITRATE
Systematic Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1-(1-METHYLETHYL) ESTER
Common Name English
Code System Code Type Description
FDA UNII
0GG8VH216P
Created by admin on Sat Dec 16 08:39:27 GMT 2023 , Edited by admin on Sat Dec 16 08:39:27 GMT 2023
PRIMARY
PUBCHEM
9816081
Created by admin on Sat Dec 16 08:39:27 GMT 2023 , Edited by admin on Sat Dec 16 08:39:27 GMT 2023
PRIMARY
CAS
101396-15-0
Created by admin on Sat Dec 16 08:39:27 GMT 2023 , Edited by admin on Sat Dec 16 08:39:27 GMT 2023
PRIMARY