Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.1372 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(O)C(O)=CC=C1
InChI
InChIKey=PGSWEKYNAOWQDF-UHFFFAOYSA-N
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.1372 |
| 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
Fri Dec 15 19:35:21 UTC 2023
by
admin
on
Fri Dec 15 19:35:21 UTC 2023
|
| Record UNII |
0HUZ4Q9R8C
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID9060071
Created by
admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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207-672-6
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admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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3-Methylcatechol
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admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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488-17-5
Created by
admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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18404
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admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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0HUZ4Q9R8C
Created by
admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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66523
Created by
admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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340
Created by
admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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C031136
Created by
admin on Fri Dec 15 19:35:21 UTC 2023 , Edited by admin on Fri Dec 15 19:35:21 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Compound was 21 ug of the yeild of the HTT fraction collected from tobacco smoke.
Compound was detected by LTT and derived from the bright tobacco and sample of compound was found to be 144 ug/g.
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