Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H17O2.Na |
| Molecular Weight | 228.2626 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O
InChI
InChIKey=PTTPUWGBPLLBKW-UHFFFAOYSA-M
InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H17O2 |
| Molecular Weight | 205.2729 |
| Charge | -1 |
| 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
Fri Dec 15 16:42:00 UTC 2023
by
admin
on
Fri Dec 15 16:42:00 UTC 2023
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| Record UNII |
O0PJ4UZ01U
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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250-477-6
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O0PJ4UZ01U
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5338317
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31121-93-4
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SUB21665
Created by
admin on Fri Dec 15 16:42:01 UTC 2023 , Edited by admin on Fri Dec 15 16:42:01 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |