Details
Stereochemistry | RACEMIC |
Molecular Formula | C8H12O4.H2O |
Molecular Weight | 190.1938 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1(C)OC(=O)CC1CC(O)=O
InChI
InChIKey=UJANHGREGZANDK-UHFFFAOYSA-N
InChI=1S/C8H12O4.H2O/c1-8(2)5(3-6(9)10)4-7(11)12-8;/h5H,3-4H2,1-2H3,(H,9,10);1H2
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C8H12O4 |
Molecular Weight | 172.1785 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:45:19 GMT 2023
by
admin
on
Sat Dec 16 08:45:19 GMT 2023
|
Record UNII |
98P1AZ19F5
|
Record Status |
Validated (UNII)
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Record Version |
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-
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98P1AZ19F5
Created by
admin on Sat Dec 16 08:45:19 GMT 2023 , Edited by admin on Sat Dec 16 08:45:19 GMT 2023
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6024-96-0
Created by
admin on Sat Dec 16 08:45:19 GMT 2023 , Edited by admin on Sat Dec 16 08:45:19 GMT 2023
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91667942
Created by
admin on Sat Dec 16 08:45:19 GMT 2023 , Edited by admin on Sat Dec 16 08:45:19 GMT 2023
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m955
Created by
admin on Sat Dec 16 08:45:19 GMT 2023 , Edited by admin on Sat Dec 16 08:45:19 GMT 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |