Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C9H13NO.C4H4O4 |
| Molecular Weight | 267.2778 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.C[C@H](N)[C@H](O)C1=CC=CC=C1
InChI
InChIKey=PMRCIPUNYJFMII-LBTDPVFMSA-N
InChI=1S/C9H13NO.C4H4O4/c1-7(10)9(11)8-5-3-2-4-6-8;5-3(6)1-2-4(7)8/h2-7,9,11H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t7-,9-;/m0./s1
| 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 | C9H13NO |
| Molecular Weight | 151.2056 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:32:22 UTC 2023
by
admin
on
Fri Dec 15 15:32:22 UTC 2023
|
| Record UNII |
86ILV507ZN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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76960503
Created by
admin on Fri Dec 15 15:32:22 UTC 2023 , Edited by admin on Fri Dec 15 15:32:22 UTC 2023
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PRIMARY | |||
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86ILV507ZN
Created by
admin on Fri Dec 15 15:32:22 UTC 2023 , Edited by admin on Fri Dec 15 15:32:22 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |