Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(OC(=O)C(C)C)C=CC(C=O)=C1
InChI
InChIKey=BGKAKRUFBSTALK-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| 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
Mon Mar 31 19:55:15 GMT 2025
by
admin
on
Mon Mar 31 19:55:15 GMT 2025
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| Record UNII |
C55654RCNR
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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 |
VANILLIN ISOBUTYRATE
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admin on Mon Mar 31 19:55:15 GMT 2025 , Edited by admin on Mon Mar 31 19:55:15 GMT 2025
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C55654RCNR
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539829
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