Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)C1=CN=CC=C1
InChI
InChIKey=YNBADRVTZLEFNH-UHFFFAOYSA-N
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| 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
Fri Dec 15 15:18:15 UTC 2023
by
admin
on
Fri Dec 15 15:18:15 UTC 2023
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| Record UNII |
7B1AVU9DJN
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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JECFA EVALUATION |
METHYL NICOTINATE
Created by
admin on Fri Dec 15 15:18:15 UTC 2023 , Edited by admin on Fri Dec 15 15:18:15 UTC 2023
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NCI_THESAURUS |
C26017
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m7443
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3355
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SUB14544MIG
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29900
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CHEMBL379845
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C008473
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DTXSID7044471
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13126
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C80889
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202-261-8
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7B1AVU9DJN
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DB13882
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100000088807
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7151
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93-60-7
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7B1AVU9DJN
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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