Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C9H13NO3.C2H4O2 |
Molecular Weight | 243.2564 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CNC[C@H](O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=CEBXQLPKMNOIHN-FVGYRXGTSA-N
InChI=1S/C9H13NO3.C2H4O2/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-2(3)4/h2-4,9-13H,5H2,1H3;1H3,(H,3,4)/t9-;/m0./s1
Molecular Formula | C9H13NO3 |
Molecular Weight | 183.2044 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C2H4O2 |
Molecular Weight | 60.052 |
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
Fri Dec 15 20:37:58 UTC 2023
by
admin
on
Fri Dec 15 20:37:58 UTC 2023
|
Record UNII |
M1NJX34RVJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID80242845
Created by
admin on Fri Dec 15 20:37:58 UTC 2023 , Edited by admin on Fri Dec 15 20:37:58 UTC 2023
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DBSALT001650
Created by
admin on Fri Dec 15 20:37:58 UTC 2023 , Edited by admin on Fri Dec 15 20:37:58 UTC 2023
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97289-42-4
Created by
admin on Fri Dec 15 20:37:58 UTC 2023 , Edited by admin on Fri Dec 15 20:37:58 UTC 2023
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71587364
Created by
admin on Fri Dec 15 20:37:58 UTC 2023 , Edited by admin on Fri Dec 15 20:37:58 UTC 2023
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M1NJX34RVJ
Created by
admin on Fri Dec 15 20:37:58 UTC 2023 , Edited by admin on Fri Dec 15 20:37:58 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |