Dataset
elemental analysis (EA)
Chemical Info
InChI | InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 |
---|---|
SMILES | O=Cc1ccccc1N |
InChI Key | FXWFZIRWWNPPOV-UHFFFAOYSA-N |
Molecular Formula | C7H7NO |
Exact Mass | 121.137 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N/CHMO0001075 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FXWFZIRWWNPPOV-UHFFFAOYSA-N/CHMO0001075 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T00:47:15.015373 |
MetadataModified | 2024-09-08T00:47:15.015378 |
MetadataPublished | 2023-03-14 |
Field | Value |
---|---|
Measurement Technique | elemental analysis |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
68255 | PubChem |
534800 | eMolecules |
529-23-7 | ACToR |
EG769PG2AX | FDA SRS |
SCHEMBL25505 | SureChEMBL |
51723-15-0 | ACToR |
15170598 | PubChem: Thomson Pharma |
20163178 | NMRShiftDB |
MCULE-3748234668 | Mcule |
21400 | Brenda |
CB7279021 | ChemicalBook |
19910 | Brenda |
J6.682F | Nikkaji |
DTXSID6060183 | EPA CompTox Dashboard |
ZINC000004202514 | ZINC |
The data in this table is sourced from UniChem at EBI. |