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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H6O5
Molecular Weight 134.0874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMALIC ACID

SMILES

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

InChI

InChIKey=LNRVTEQEGXVMEF-UHFFFAOYSA-N
InChI=1S/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula C4H6O5
Molecular Weight 134.0874
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:47:59 GMT 2025
Edited
by admin
on Mon Mar 31 18:47:59 GMT 2025
Record UNII
U6K2REG9Q6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLTARTRONIC ACID
Preferred Name English
ISOMALIC ACID
Common Name English
PROPANEDIOIC ACID, HYDROXYMETHYL-
Systematic Name English
HYDROXYMETHYLMALONIC ACID
Systematic Name English
METHYLTARTRONIC ACID
Systematic Name English
HYDROXYMETHYLPROPANEDIOIC ACID
Systematic Name English
TARTRONIC ACID, METHYL-
Systematic Name English
2-HYDROXY-2-METHYLPROPANEDIOIC ACID
Systematic Name English
2-HYDROXY-2-METHYLMALONIC ACID
Systematic Name English
2-HYDROXY-2-METHYLMALONATE
Systematic Name English
C-METHYLTARTRONIC ACID
Common Name English
PROPANEDIOIC ACID, 2-HYDROXY-2-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
U6K2REG9Q6
Created by admin on Mon Mar 31 18:47:59 GMT 2025 , Edited by admin on Mon Mar 31 18:47:59 GMT 2025
PRIMARY
CAS
595-48-2
Created by admin on Mon Mar 31 18:47:59 GMT 2025 , Edited by admin on Mon Mar 31 18:47:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID30974907
Created by admin on Mon Mar 31 18:47:59 GMT 2025 , Edited by admin on Mon Mar 31 18:47:59 GMT 2025
PRIMARY
PUBCHEM
136386
Created by admin on Mon Mar 31 18:47:59 GMT 2025 , Edited by admin on Mon Mar 31 18:47:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-868-7
Created by admin on Mon Mar 31 18:47:59 GMT 2025 , Edited by admin on Mon Mar 31 18:47:59 GMT 2025
PRIMARY