Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](C(O)=O)C1=CC=C(CC(C)(C)O)C=C1
InChI
InChIKey=UJHKVYPPCJBOSG-VIFPVBQESA-N
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/t9-/m0/s1
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 20:52:32 GMT 2025
by
admin
on
Tue Apr 01 20:52:32 GMT 2025
|
| Record UNII |
RY95O53234
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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12617415
Created by
admin on Tue Apr 01 20:52:32 GMT 2025 , Edited by admin on Tue Apr 01 20:52:32 GMT 2025
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58534-39-7
Created by
admin on Tue Apr 01 20:52:32 GMT 2025 , Edited by admin on Tue Apr 01 20:52:32 GMT 2025
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RY95O53234
Created by
admin on Tue Apr 01 20:52:32 GMT 2025 , Edited by admin on Tue Apr 01 20:52:32 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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Metabolism by CYP2C9 (90%) and CYP2C19 (10%).
|