Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H11N.C6H8O7 |
| Molecular Weight | 313.3032 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCC1=CC=CC=C1.OC(=O)CC(O)(CC(O)=O)C(O)=O
InChI
InChIKey=CTBJILANYAWODF-UHFFFAOYSA-N
InChI=1S/C8H11N.C6H8O7/c9-7-6-8-4-2-1-3-5-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5H,6-7,9H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C8H11N |
| Molecular Weight | 121.1796 |
| 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
Sat Dec 16 18:41:58 UTC 2023
by
admin
on
Sat Dec 16 18:41:58 UTC 2023
|
| Record UNII |
235L88TMD3
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
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100000090347
Created by
admin on Sat Dec 16 18:41:58 UTC 2023 , Edited by admin on Sat Dec 16 18:41:58 UTC 2023
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PRIMARY | |||
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235L88TMD3
Created by
admin on Sat Dec 16 18:41:58 UTC 2023 , Edited by admin on Sat Dec 16 18:41:58 UTC 2023
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84473-65-4
Created by
admin on Sat Dec 16 18:41:58 UTC 2023 , Edited by admin on Sat Dec 16 18:41:58 UTC 2023
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57354249
Created by
admin on Sat Dec 16 18:41:58 UTC 2023 , Edited by admin on Sat Dec 16 18:41:58 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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