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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O3
Molecular Weight 146.1843
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCC(CO)CC(O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H14O3
Molecular Weight 146.1843
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 20:19:57 UTC 2023
Edited
by admin
on Sat Dec 16 20:19:57 UTC 2023
Record UNII
YQ74N88TMH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Hydroxymethyl)hexanoic acid
Systematic Name English
3-Propyl-γ-hydroxybutyric acid
Systematic Name English
Hexanoic acid, 3-(hydroxymethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
YQ74N88TMH
Created by admin on Sat Dec 16 20:19:57 UTC 2023 , Edited by admin on Sat Dec 16 20:19:57 UTC 2023
PRIMARY
CAS
81381-87-5
Created by admin on Sat Dec 16 20:19:57 UTC 2023 , Edited by admin on Sat Dec 16 20:19:57 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE