Dataset
elemental analysis (EA)
Chemical Info
InChI | InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H |
---|---|
SMILES | [O-][n+]1ccnc2c1cccc2 |
InChI Key | OARGFWQSVACNCO-UHFFFAOYSA-N |
Molecular Formula | C8H6N2O |
Exact Mass | 146.146 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OARGFWQSVACNCO-UHFFFAOYSA-N/CHMO0001075 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OARGFWQSVACNCO-UHFFFAOYSA-N/CHMO0001075 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:01:58.960966 |
MetadataModified | 2024-09-08T04:01:58.960974 |
MetadataPublished | 2024-07-05 |
Field | Value |
---|---|
Measurement Technique | elemental analysis |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
3726572 | eMolecules |
163530272 | PubChem: Thomson Pharma |
6935-29-1 | ACToR |
ZINC000000333208 | ZINC |
J84.971E | Nikkaji |
KORTOD | CCDC |
DTXSID10219388 | EPA CompTox Dashboard |
23363 | PubChem |
SCHEMBL240893 | SureChEMBL |
20054364 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |