Details
Stereochemistry | RACEMIC |
Molecular Formula | C6H7NO.C4H6O5 |
Molecular Weight | 243.2133 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
OCC1=CN=CC=C1.OC(CC(O)=O)C(O)=O
InChI
InChIKey=ZTFZMPGWBKSBSL-UHFFFAOYSA-N
InChI=1S/C6H7NO.C4H6O5/c8-5-6-2-1-3-7-4-6;5-2(4(8)9)1-3(6)7/h1-4,8H,5H2;2,5H,1H2,(H,6,7)(H,8,9)
Molecular Formula | C4H6O5 |
Molecular Weight | 134.0874 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C6H7NO |
Molecular Weight | 109.1259 |
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 15:35:58 UTC 2023
by
admin
on
Fri Dec 15 15:35:58 UTC 2023
|
Record UNII |
W6T0WO5LEJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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137321938
Created by
admin on Fri Dec 15 15:35:59 UTC 2023 , Edited by admin on Fri Dec 15 15:35:59 UTC 2023
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181074-82-8
Created by
admin on Fri Dec 15 15:35:59 UTC 2023 , Edited by admin on Fri Dec 15 15:35:59 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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W6T0WO5LEJ
Created by
admin on Fri Dec 15 15:35:59 UTC 2023 , Edited by admin on Fri Dec 15 15:35:59 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |