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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-3-HYDROXYHEXANAL, (2R,3S)-REL-

SMILES

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

InChI

InChIKey=FMBAIQMSJGQWLF-HTQZYQBOSA-N
InChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
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 Sat Dec 16 08:57:17 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:17 GMT 2023
Record UNII
Y0QE133WBG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-3-HYDROXYHEXANAL, (2R,3S)-REL-
Common Name English
HEXANAL, 2-ETHYL-3-HYDROXYL-, (R*,S*)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72941672
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY
CAS
126958-36-9
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY
FDA UNII
Y0QE133WBG
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY