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
Mon Mar 31 22:17:35 GMT 2025
by
admin
on
Mon Mar 31 22:17:35 GMT 2025
|
| Record UNII |
98P1AZ19F5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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98P1AZ19F5
Created by
admin on Mon Mar 31 22:17:35 GMT 2025 , Edited by admin on Mon Mar 31 22:17:35 GMT 2025
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PRIMARY | |||
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6024-96-0
Created by
admin on Mon Mar 31 22:17:35 GMT 2025 , Edited by admin on Mon Mar 31 22:17:35 GMT 2025
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PRIMARY | |||
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91667942
Created by
admin on Mon Mar 31 22:17:35 GMT 2025 , Edited by admin on Mon Mar 31 22:17:35 GMT 2025
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PRIMARY | |||
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m955
Created by
admin on Mon Mar 31 22:17:35 GMT 2025 , Edited by admin on Mon Mar 31 22:17:35 GMT 2025
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
