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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2
Molecular Weight 165.1891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-1-(3-PYRIDYL)-1-BUTANONE

SMILES

OCCCC(=O)C1=CC=CN=C1

InChI

InChIKey=KTXUGZHJVRHQGP-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2

HIDE SMILES / InChI

Molecular Formula C9H11NO2
Molecular Weight 165.1891
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:36:06 UTC 2023
Edited
by admin
on Fri Dec 15 19:36:06 UTC 2023
Record UNII
Z79CGY64XC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-1-(3-PYRIDYL)-1-BUTANONE
Systematic Name English
1-BUTANONE, 4-HYDROXY-1-(3-PYRIDINYL)-
Systematic Name English
4-HYDOXY-1-(3-PYRIDYL)-1-BUTANONE
Common Name English
Code System Code Type Description
MESH
C074143
Created by admin on Fri Dec 15 19:36:06 UTC 2023 , Edited by admin on Fri Dec 15 19:36:06 UTC 2023
PRIMARY
PUBCHEM
107819
Created by admin on Fri Dec 15 19:36:06 UTC 2023 , Edited by admin on Fri Dec 15 19:36:06 UTC 2023
PRIMARY
FDA UNII
Z79CGY64XC
Created by admin on Fri Dec 15 19:36:06 UTC 2023 , Edited by admin on Fri Dec 15 19:36:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID40208240
Created by admin on Fri Dec 15 19:36:06 UTC 2023 , Edited by admin on Fri Dec 15 19:36:06 UTC 2023
PRIMARY
CAS
59578-62-0
Created by admin on Fri Dec 15 19:36:06 UTC 2023 , Edited by admin on Fri Dec 15 19:36:06 UTC 2023
PRIMARY
NCI_THESAURUS
C192185
Created by admin on Fri Dec 15 19:36:06 UTC 2023 , Edited by admin on Fri Dec 15 19:36:06 UTC 2023
PRIMARY
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