Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H11ClO4 |
| Molecular Weight | 254.666 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(OC(=O)C=C1OC)[C@H](O)C2=C(Cl)C=CC=C2
InChI
InChIKey=ICDNYWJQGWNLFP-VXGBXAGGSA-N
InChI=1S/C12H11ClO4/c1-16-9-6-10(14)17-12(9)11(15)7-4-2-3-5-8(7)13/h2-6,11-12,15H,1H3/t11-,12-/m1/s1
| Molecular Formula | C12H11ClO4 |
| Molecular Weight | 254.666 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:56:16 UTC 2023
by
admin
on
Fri Dec 15 15:56:16 UTC 2023
|
| Record UNII |
84R8O3QM2G
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C264
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admin on Fri Dec 15 15:56:16 UTC 2023 , Edited by admin on Fri Dec 15 15:56:16 UTC 2023
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C065427
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6423
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10131269
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C90707
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112856-44-7
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLIC ENZYME -> SUBSTRATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
