Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C7H6NO2.Ca |
| Molecular Weight | 312.334 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].NC1=CC=C(C=C1)C([O-])=O.NC2=CC=C(C=C2)C([O-])=O
InChI
InChIKey=WERDFULIYLPZCO-UHFFFAOYSA-L
InChI=1S/2C7H7NO2.Ca/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);/q;;+2/p-2
| Molecular Formula | C7H6NO2 |
| Molecular Weight | 136.128 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| 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
Mon Mar 31 19:09:19 GMT 2025
by
admin
on
Mon Mar 31 19:09:19 GMT 2025
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| Record UNII |
RQ8H0DRA1L
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID90208891
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108901
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60154-17-8
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262-086-8
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RQ8H0DRA1L
Created by
admin on Mon Mar 31 19:09:19 GMT 2025 , Edited by admin on Mon Mar 31 19:09:19 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |