Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)CC1=CC=C(C=C1)C(C)(O)C(O)=O
InChI
InChIKey=APEODKDQAWQDLW-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:01:54 GMT 2025
by
admin
on
Mon Mar 31 22:01:54 GMT 2025
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| Record UNII |
72Z1R0AQ22
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| Record Status |
Validated (UNII)
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| Record Version |
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5228577
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60057-62-7
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admin on Mon Mar 31 22:01:54 GMT 2025 , Edited by admin on Mon Mar 31 22:01:54 GMT 2025
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72Z1R0AQ22
Created by
admin on Mon Mar 31 22:01:54 GMT 2025 , Edited by admin on Mon Mar 31 22:01:54 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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