Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C6H9O3.Ca |
Molecular Weight | 298.346 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CCC(C)C(=O)C([O-])=O.CCC(C)C(=O)C([O-])=O
InChI
InChIKey=PTFSVYLXDCGPFY-UHFFFAOYSA-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
Molecular Formula | C6H9O3 |
Molecular Weight | 129.1339 |
Charge | -1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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
Sat Dec 16 11:20:51 GMT 2023
by
admin
on
Sat Dec 16 11:20:51 GMT 2023
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Record UNII |
V3JCR2C58B
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID70985496
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4326584
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100000176939
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66872-75-1
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SUB192013
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