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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H14O3
Molecular Weight 146.1843
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Hydroxymethyl)hexanoic acid, (3S)-

SMILES

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

InChI

InChIKey=RCEHLBBNNJCSDL-LURJTMIESA-N
InChI=1S/C7H14O3/c1-2-3-6(5-8)4-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H14O3
Molecular Weight 146.1843
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 Sat Dec 16 20:23:14 GMT 2023
Edited
by admin
on Sat Dec 16 20:23:14 GMT 2023
Record UNII
V37F6N2AK9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Hydroxymethyl)hexanoic acid, (3S)-
Systematic Name English
Hexanoic acid, 3-(hydroxymethyl)-, (3S)-
Systematic Name English
(3R)-3-(Hydroxymethyl)hexanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
V37F6N2AK9
Created by admin on Sat Dec 16 20:23:14 GMT 2023 , Edited by admin on Sat Dec 16 20:23:14 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER