Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
InChI
InChIKey=CANZBRDGRHNSGZ-LLVKDONJSA-N
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:56:52 GMT 2023
by
admin
on
Sat Dec 16 19:56:52 GMT 2023
|
| Record UNII |
WRJ5TH8NR7
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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WRJ5TH8NR7
Created by
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1685-33-2
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712434
Created by
admin on Sat Dec 16 19:56:52 GMT 2023 , Edited by admin on Sat Dec 16 19:56:52 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
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