Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H6N2O2.2H2O |
| Molecular Weight | 174.1546 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.NC1=NC=C(C=C1)C(O)=O
InChI
InChIKey=VWGQQEAGAVJJEU-UHFFFAOYSA-N
InChI=1S/C6H6N2O2.2H2O/c7-5-2-1-4(3-8-5)6(9)10;;/h1-3H,(H2,7,8)(H,9,10);2*1H2
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.124 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Enantioseparation of aromatic amino acids and amino acid esters by capillary electrophoresis with crown ether and prediction of enantiomer migration orders by a three-dimensional quantitative structure-property relationship/comparative field analysis model. | 2004-08 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:32:46 GMT 2025
by
admin
on
Mon Mar 31 21:32:46 GMT 2025
|
| Record UNII |
6K612EK6FI
|
| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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m1722
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admin on Mon Mar 31 21:32:47 GMT 2025 , Edited by admin on Mon Mar 31 21:32:47 GMT 2025
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PRIMARY | Merck Index | ||
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DTXSID10215668
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6533-40-0
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admin on Mon Mar 31 21:32:47 GMT 2025 , Edited by admin on Mon Mar 31 21:32:47 GMT 2025
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45117794
Created by
admin on Mon Mar 31 21:32:47 GMT 2025 , Edited by admin on Mon Mar 31 21:32:47 GMT 2025
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6K612EK6FI
Created by
admin on Mon Mar 31 21:32:47 GMT 2025 , Edited by admin on Mon Mar 31 21:32:47 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
