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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O4
Molecular Weight 174.1944
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-2,5-DIMETHYL-3-OXO-HEXANOIC ACID, (2S,4S)-

SMILES

CC(C)[C@H](O)C(=O)[C@H](C)C(O)=O

InChI

InChIKey=KNLSYHPQBMSLLE-WDSKDSINSA-N
InChI=1S/C8H14O4/c1-4(2)6(9)7(10)5(3)8(11)12/h4-6,9H,1-3H3,(H,11,12)/t5-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14O4
Molecular Weight 174.1944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 02:00:35 GMT 2025
Edited
by admin
on Wed Apr 02 02:00:35 GMT 2025
Record UNII
HHU0ZPK5IN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANOIC ACID, 4-HYDROXY-2,5-DIMETHYL-3-OXO-, (S-(R*,R*))-
Preferred Name English
4-HYDROXY-2,5-DIMETHYL-3-OXO-HEXANOIC ACID, (2S,4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
HHU0ZPK5IN
Created by admin on Wed Apr 02 02:00:35 GMT 2025 , Edited by admin on Wed Apr 02 02:00:35 GMT 2025
PRIMARY
CAS
118812-60-5
Created by admin on Wed Apr 02 02:00:35 GMT 2025 , Edited by admin on Wed Apr 02 02:00:35 GMT 2025
PRIMARY
PUBCHEM
49867110
Created by admin on Wed Apr 02 02:00:35 GMT 2025 , Edited by admin on Wed Apr 02 02:00:35 GMT 2025
PRIMARY