Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C6H9O3.Ca |
Molecular Weight | 298.346 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC[C@H](C)C(=O)C([O-])=O.CC[C@H](C)C(=O)C([O-])=O
InChI
InChIKey=PTFSVYLXDCGPFY-SCGRZTRASA-L
InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1
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 | C6H9O3 |
Molecular Weight | 129.1339 |
Charge | -1 |
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
Fri Dec 15 19:25:38 GMT 2023
by
admin
on
Fri Dec 15 19:25:38 GMT 2023
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Record UNII |
85RJ2N890T
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Record Status |
Validated (UNII)
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Record Version |
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-
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100000088160
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85RJ2N890T
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257-458-1
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DTXSID20199788
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21149466
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admin on Fri Dec 15 19:25:38 GMT 2023 , Edited by admin on Fri Dec 15 19:25:38 GMT 2023
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51828-96-7
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SUB22988
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admin on Fri Dec 15 19:25:38 GMT 2023 , Edited by admin on Fri Dec 15 19:25:38 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |