Details
Stereochemistry | RACEMIC |
Molecular Formula | C9H13N.C8H7ClO3 |
Molecular Weight | 321.799 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(N)CC1=CC=CC=C1.OC(=O)COC2=CC=C(Cl)C=C2
InChI
InChIKey=IDSYNZFSNCSZRC-UHFFFAOYSA-N
InChI=1S/C9H13N.C8H7ClO3/c1-8(10)7-9-5-3-2-4-6-9;9-6-1-3-7(4-2-6)12-5-8(10)11/h2-6,8H,7,10H2,1H3;1-4H,5H2,(H,10,11)
Molecular Formula | C9H13N |
Molecular Weight | 135.2062 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C8H7ClO3 |
Molecular Weight | 186.592 |
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 17:09:15 GMT 2023
by
admin
on
Fri Dec 15 17:09:15 GMT 2023
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Record UNII |
1SGK1QW95U
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Record Status |
Validated (UNII)
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Record Version |
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DTXSID101000262
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |