Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H13NO2.C2H2O4.2H2O |
| Molecular Weight | 293.2705 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OC(=O)C(O)=O.C[C@H](N)[C@H](O)C1=CC(O)=CC=C1
InChI
InChIKey=ZOXHALWFYAPXOI-OAOYEMARSA-N
InChI=1S/C9H13NO2.C2H2O4.2H2O/c1-6(10)9(12)7-3-2-4-8(11)5-7;3-1(4)2(5)6;;/h2-6,9,11-12H,10H2,1H3;(H,3,4)(H,5,6);2*1H2/t6-,9-;;;/m0.../s1
| Molecular Formula | C2H2O4 |
| Molecular Weight | 90.0349 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:32:09 GMT 2025
by
admin
on
Mon Mar 31 22:32:09 GMT 2025
|
| Record UNII |
24A9VNN4CA
|
| Record Status |
Validated (UNII)
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| Record Version |
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24A9VNN4CA
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72941470
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5967-53-3
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m7273
Created by
admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
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DTXSID60975068
Created by
admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
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