Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.1158 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C\C=C(/C)C(O)=O
InChI
InChIKey=UIERETOOQGIECD-ONEGZZNKSA-N
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.1158 |
| 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
Fri Dec 15 17:59:50 GMT 2023
by
admin
on
Fri Dec 15 17:59:50 GMT 2023
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| Record UNII |
I5792N03HC
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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JECFA EVALUATION |
TRANS-2-METHYL-2-BUTENOIC ACID
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| Code System | Code | Type | Description | ||
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80-59-1
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1214
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9592
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m10859
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PRIMARY | Merck Index | ||
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36432
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I5792N03HC
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8999
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1860614
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44235
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TIGLIC ACID
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DTXSID80883257
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125468
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7614
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201-295-0
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I5792N03HC
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Esterifying acid of sesquiterpenes found in Butterbur.
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PARENT -> CONSTITUENT ALWAYS PRESENT |
