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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYHEXAN-3-ONE, (4S)-

SMILES

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

InChI

InChIKey=SKCYVGUCBRYGTE-YFKPBYRVSA-N
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H12O2
Molecular Weight 116.1583
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:04:15 GMT 2025
Edited
by admin
on Wed Apr 02 12:04:15 GMT 2025
Record UNII
886T9K78ZM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYHEXAN-3-ONE, (4S)-
Systematic Name English
(4S)-4-HYDROXY-3-HEXANONE
Preferred Name English
(S)-4-HYDROXY-3-HEXANONE
Systematic Name English
3-HEXANONE, 4-HYDROXY-, (4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
886T9K78ZM
Created by admin on Wed Apr 02 12:04:15 GMT 2025 , Edited by admin on Wed Apr 02 12:04:15 GMT 2025
PRIMARY
CAS
116297-02-0
Created by admin on Wed Apr 02 12:04:15 GMT 2025 , Edited by admin on Wed Apr 02 12:04:15 GMT 2025
PRIMARY
PUBCHEM
10986196
Created by admin on Wed Apr 02 12:04:15 GMT 2025 , Edited by admin on Wed Apr 02 12:04:15 GMT 2025
PRIMARY
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