Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H12N2O2 |
Molecular Weight | 228.2466 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCC1=CNC2=C1C=C(C=C2)C#N
InChI
InChIKey=LVBAUKJTXDELPT-UHFFFAOYSA-N
InChI=1S/C13H12N2O2/c14-7-9-4-5-12-11(6-9)10(8-15-12)2-1-3-13(16)17/h4-6,8,15H,1-3H2,(H,16,17)
Molecular Formula | C13H12N2O2 |
Molecular Weight | 228.2466 |
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
Edited
Sat Dec 16 15:16:50 GMT 2023
by
admin
on
Sat Dec 16 15:16:50 GMT 2023
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Record UNII |
MXN9CL1PY0
|
Record Status |
Validated (UNII)
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Record Version |
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-
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MXN9CL1PY0
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18330301
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admin on Sat Dec 16 15:16:50 GMT 2023 , Edited by admin on Sat Dec 16 15:16:50 GMT 2023
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1791404-50-6
Created by
admin on Sat Dec 16 15:16:50 GMT 2023 , Edited by admin on Sat Dec 16 15:16:50 GMT 2023
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PARENT -> METABOLITE |