Details
| Stereochemistry | UNKNOWN |
| Molecular Formula | C13H14N2O.C4H4O4 |
| Molecular Weight | 330.3352 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.NC1=C2C=CC=CC2=NC3=C1C(O)CCC3
InChI
InChIKey=NEEKVKZFYBQFGT-BTJKTKAUSA-N
InChI=1S/C13H14N2O.C4H4O4/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13;5-3(6)1-2-4(7)8/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
| 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 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.2631 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:17:47 UTC 2023
by
admin
on
Sat Dec 16 10:17:47 UTC 2023
|
| Record UNII |
WR9885GALS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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121445-25-8
Created by
admin on Sat Dec 16 10:17:47 UTC 2023 , Edited by admin on Sat Dec 16 10:17:47 UTC 2023
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PRIMARY | |||
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WR9885GALS
Created by
admin on Sat Dec 16 10:17:47 UTC 2023 , Edited by admin on Sat Dec 16 10:17:47 UTC 2023
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PRIMARY | |||
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5702293
Created by
admin on Sat Dec 16 10:17:47 UTC 2023 , Edited by admin on Sat Dec 16 10:17:47 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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RACEMATE -> ENANTIOMER |
