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Details

Stereochemistry RACEMIC
Molecular Formula C7H10O7
Molecular Weight 206.1501
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOMOCITRIC ACID, (±)-

SMILES

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

InChI

InChIKey=XKJVEVRQMLKSMO-UHFFFAOYSA-N
InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C7H10O7
Molecular Weight 206.1501
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 17:31:01 GMT 2023
Edited
by admin
on Sat Dec 16 17:31:01 GMT 2023
Record UNII
5883XD8HH4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HOMOCITRIC ACID, (±)-
Common Name English
1,2,4-BUTANETRICARBOXYLIC ACID, 2-HYDROXY-
Systematic Name English
HOMOCITRIC ACID
Common Name English
2-HYDROXY-1,2,4-BUTANETRICARBOXYLIC ACID
Systematic Name English
(±)-HOMOCITRIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10331413
Created by admin on Sat Dec 16 17:31:01 GMT 2023 , Edited by admin on Sat Dec 16 17:31:01 GMT 2023
PRIMARY
CAS
3562-74-1
Created by admin on Sat Dec 16 17:31:01 GMT 2023 , Edited by admin on Sat Dec 16 17:31:01 GMT 2023
PRIMARY
FDA UNII
5883XD8HH4
Created by admin on Sat Dec 16 17:31:01 GMT 2023 , Edited by admin on Sat Dec 16 17:31:01 GMT 2023
PRIMARY
CHEBI
17852
Created by admin on Sat Dec 16 17:31:01 GMT 2023 , Edited by admin on Sat Dec 16 17:31:01 GMT 2023
PRIMARY
WIKIPEDIA
Homocitric acid
Created by admin on Sat Dec 16 17:31:01 GMT 2023 , Edited by admin on Sat Dec 16 17:31:01 GMT 2023
PRIMARY
PUBCHEM
28371
Created by admin on Sat Dec 16 17:31:01 GMT 2023 , Edited by admin on Sat Dec 16 17:31:01 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE