Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.1302 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC(C#N)=C(O)C=C1
InChI
InChIKey=KUCSFDLSLAVLBY-UHFFFAOYSA-N
InChI=1S/C8H5NO3/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3,10H,(H,11,12)
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.1302 |
| 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 16:40:56 UTC 2023
by
admin
on
Sat Dec 16 16:40:56 UTC 2023
|
| Record UNII |
2PTA3WT4SI
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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70829-28-6
Created by
admin on Sat Dec 16 16:40:56 UTC 2023 , Edited by admin on Sat Dec 16 16:40:56 UTC 2023
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11137463
Created by
admin on Sat Dec 16 16:40:56 UTC 2023 , Edited by admin on Sat Dec 16 16:40:56 UTC 2023
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2PTA3WT4SI
Created by
admin on Sat Dec 16 16:40:56 UTC 2023 , Edited by admin on Sat Dec 16 16:40:56 UTC 2023
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DTXSID20456505
Created by
admin on Sat Dec 16 16:40:56 UTC 2023 , Edited by admin on Sat Dec 16 16:40:56 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE INACTIVE |
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FECAL
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