Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C7H9NO.H2O4S |
Molecular Weight | 344.383 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CNC1=CC=C(O)C=C1.CNC2=CC=C(O)C=C2
InChI
InChIKey=ZVNPWFOVUDMGRP-UHFFFAOYSA-N
InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C7H9NO |
Molecular Weight | 123.1525 |
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 18:48:27 GMT 2023
by
admin
on
Fri Dec 15 18:48:27 GMT 2023
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Record UNII |
D3W0VWG12M
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Record Status |
Validated (UNII)
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Record Version |
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-
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55413
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D3W0VWG12M
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D3W0VWG12M
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SUB169572
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C014112
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55416
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200-237-1
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55-55-0
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5930
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148345
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DTXSID6025565
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METOL
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m7361
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100000159451
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |