Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.2674 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy for E and Z are 33.3101 and 37.1235 kcal/mol) |
SHOW SMILES / InChI
SMILES
O1C=CC=C1\C=N\C(\N=C\C2=CC=CO2)C3=CC=CO3
InChI
InChIKey=CYGDSXFTXXFMNI-OTYYAQKOSA-N
InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H/b16-10+,17-11+
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.2674 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:29:24 GMT 2023
by
admin
on
Fri Dec 15 18:29:24 GMT 2023
|
| Record UNII |
BI73W105SX
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English |
| Code System | Code | Type | Description | ||
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207-790-8
Created by
admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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Hydrofuramide
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admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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494-47-3
Created by
admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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49110
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admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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9570073
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admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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1238184-07-0
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admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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DTXSID30877702
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admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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m6098
Created by
admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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PRIMARY | Merck Index | ||
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BI73W105SX
Created by
admin on Fri Dec 15 18:29:24 GMT 2023 , Edited by admin on Fri Dec 15 18:29:24 GMT 2023
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PRIMARY |