Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H7O4.C2H4NO2.Ca |
| Molecular Weight | 293.286 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].NCC([O-])=O.CC(=O)OC1=C(C=CC=C1)C([O-])=O
InChI
InChIKey=UCWUIXHPAJIGDB-UHFFFAOYSA-L
InChI=1S/C9H8O4.C2H5NO2.Ca/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3-1-2(4)5;/h2-5H,1H3,(H,11,12);1,3H2,(H,4,5);/q;;+2/p-2
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C2H4NO2 |
| Molecular Weight | 74.0587 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C9H7O4 |
| Molecular Weight | 179.1495 |
| Charge | -1 |
| 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 15:35:54 UTC 2023
by
admin
on
Fri Dec 15 15:35:54 UTC 2023
|
| Record UNII |
NK259942HJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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22194-39-4
Created by
admin on Fri Dec 15 15:35:54 UTC 2023 , Edited by admin on Fri Dec 15 15:35:54 UTC 2023
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30987
Created by
admin on Fri Dec 15 15:35:54 UTC 2023 , Edited by admin on Fri Dec 15 15:35:54 UTC 2023
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DTXSID20176731
Created by
admin on Fri Dec 15 15:35:54 UTC 2023 , Edited by admin on Fri Dec 15 15:35:54 UTC 2023
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NK259942HJ
Created by
admin on Fri Dec 15 15:35:54 UTC 2023 , Edited by admin on Fri Dec 15 15:35:54 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |