Details
Stereochemistry | RACEMIC |
Molecular Formula | C13H16NO4.Na |
Molecular Weight | 273.2602 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].COC(=O)\C=C(\C)NC(C([O-])=O)C1=CCC=CC1
InChI
InChIKey=XWVDGMIXJIIFTO-UOQXYWCXSA-M
InChI=1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8-;
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 | C13H16NO4 |
Molecular Weight | 250.2704 |
Charge | -1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:53:23 GMT 2023
by
admin
on
Fri Dec 15 15:53:23 GMT 2023
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Record UNII |
0A416B83V2
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Record Status |
Validated (UNII)
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Record Version |
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23710688
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93939-79-8
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300-369-0
Created by
admin on Fri Dec 15 15:53:23 GMT 2023 , Edited by admin on Fri Dec 15 15:53:23 GMT 2023
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