Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C9H7O4.Ca |
Molecular Weight | 398.377 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC(=O)OC1=C(C=CC=C1)C([O-])=O.CC(=O)OC2=C(C=CC=C2)C([O-])=O
InChI
InChIKey=KRALOLGXHLZTCW-UHFFFAOYSA-L
InChI=1S/2C9H8O4.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2
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 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:12:38 UTC 2023
by
admin
on
Fri Dec 15 15:12:38 UTC 2023
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Record UNII |
WOD7W0DGZS
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C257
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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Code System | Code | Type | Description | ||
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100000077954
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admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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WOD7W0DGZS
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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m2920
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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PRIMARY | Merck Index | ||
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200-707-6
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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DTXSID80219037
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admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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C83539
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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SUB12726MIG
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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69-46-5
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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6247
Created by
admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |