Details
| Stereochemistry | MIXED |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2807 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C(c1ccc(cc1)C(C)C(=O)O)O
InChI
InChIKey=RMOQYHYFRKTDRI-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2807 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 04:02:49 UTC 2021
by
admin
on
Sat Jun 26 04:02:49 UTC 2021
|
| Record UNII |
8A1S87ZA87
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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53949-53-4
Created by
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45117195
Created by
admin on Sat Jun 26 04:02:50 UTC 2021 , Edited by admin on Sat Jun 26 04:02:50 UTC 2021
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8A1S87ZA87
Created by
admin on Sat Jun 26 04:02:50 UTC 2021 , Edited by admin on Sat Jun 26 04:02:50 UTC 2021
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE INACTIVE |
MINOR
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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