Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H17NO.C4H4O4 |
| Molecular Weight | 307.3416 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2
InChI
InChIKey=HQQSFOASVJDTOM-WRTZALMKSA-N
InChI=1S/C12H17NO.C4H4O4/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-3(6)1-2-4(7)8/h3-7,10,12H,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t10-,12+;/m0./s1
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:54:11 UTC 2023
by
admin
on
Sat Dec 16 01:54:11 UTC 2023
|
| Record UNII |
80OKD9F9QG
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
Download
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Common Name | English |
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76962624
Created by
admin on Sat Dec 16 01:54:11 UTC 2023 , Edited by admin on Sat Dec 16 01:54:11 UTC 2023
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PRIMARY | |||
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80OKD9F9QG
Created by
admin on Sat Dec 16 01:54:11 UTC 2023 , Edited by admin on Sat Dec 16 01:54:11 UTC 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |