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Details

Stereochemistry RACEMIC
Molecular Formula C13H15N3O3
Molecular Weight 261.2765
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-2-(1H-1,2,4-TRIAZOL-1-YL)-4'-METHOXYPROPIOPHENONE

SMILES

COCC(N1C=NC=N1)C(=O)C2=CC=C(OC)C=C2

InChI

InChIKey=CGKBFQNXHHEDCL-UHFFFAOYSA-N
InChI=1S/C13H15N3O3/c1-18-7-12(16-9-14-8-15-16)13(17)10-3-5-11(19-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H15N3O3
Molecular Weight 261.2765
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 11:26:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:26:41 GMT 2023
Record UNII
67F5AF210P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXY-2-(1H-1,2,4-TRIAZOL-1-YL)-4'-METHOXYPROPIOPHENONE
Systematic Name English
1-PROPANONE, 3-METHOXY-1-(4-METHOXYPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
108664-53-5
Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023
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EPA CompTox
DTXSID00910817
Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023
PRIMARY
FDA UNII
67F5AF210P
Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023
PRIMARY
PUBCHEM
3007424
Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023
PRIMARY