Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assume E. MM2 minimum energy of E and Z are -4.9489 and -1.6317 kcal/mol respectively. |
SHOW SMILES / InChI
SMILES
CC(=O)NC\C=C\C(O)=O
InChI
InChIKey=FFMCJGYZAHPFJO-NSCUHMNNSA-N
InChI=1S/C6H9NO3/c1-5(8)7-4-2-3-6(9)10/h2-3H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| 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
Mon Mar 31 23:45:36 GMT 2025
by
admin
on
Mon Mar 31 23:45:36 GMT 2025
|
| Record UNII |
FGB5PQG5JU
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred 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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64120-63-4
Created by
admin on Mon Mar 31 23:45:36 GMT 2025 , Edited by admin on Mon Mar 31 23:45:36 GMT 2025
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NON-SPECIFIC STEREOCHEMISTRY | |||
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DTXSID40706731
Created by
admin on Mon Mar 31 23:45:36 GMT 2025 , Edited by admin on Mon Mar 31 23:45:36 GMT 2025
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PRIMARY | |||
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55287535
Created by
admin on Mon Mar 31 23:45:36 GMT 2025 , Edited by admin on Mon Mar 31 23:45:36 GMT 2025
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PRIMARY | |||
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FGB5PQG5JU
Created by
admin on Mon Mar 31 23:45:36 GMT 2025 , Edited by admin on Mon Mar 31 23:45:36 GMT 2025
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PRIMARY |