Dataset
2-NITROPHENOL
Chemical Info
InChI | InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H |
---|---|
SMILES | [O-1][N+1](=O)c(c1)c(O)ccc1 |
InChI Key | IQUPABOKLQSFBK-UHFFFAOYSA-N |
Molecular Formula | C6H5NO3 |
Exact Mass | 139.027 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008235 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:03.794391 |
MetadataModified | 2024-01-11T15:56:03.958465 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
1508 | Brenda |
140997 | Brenda |
CB3854576 | ChemicalBook |
OPO | PDBe |
1099 | Brenda |
ZINC000034719541 | ZINC |
DTXSID1021790 | EPA CompTox Dashboard |
6947 | PubChem |
15170753 | PubChem: Thomson Pharma |
88-75-5 | ACToR |
BD148E95KD | FDA SRS |
SCHEMBL26026 | SureChEMBL |
10020397 | NMRShiftDB |
MCULE-1415513135 | Mcule |
ONITPH | CCDC |
HMDB0245260 | Human Metabolome Database |
C01988 | KEGG Ligand |
CHEMBL14205 | ChEMBL |
16260 | ChEBI |
496452 | eMolecules |
The data in this table is sourced from UniChem at EBI. |