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Spectral Data

Additional Data

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Molecule	20027597
Chemical name(s)
Chemical formula	C₅H₅NO
Molecular weight	95.0993
Number of double bond equivalents (DBEs)	4.0
Number of all rings, size of smallest set of smallest rings	1, 1
Canonical name(s)	Oc1ncccc1 (SMILES) pyridin-2-ol (IUPAC from ACD/Name) 2-pyridinol (Index from ACD/Name) InChI=1S/C5H5NO/c7-5-3-1-2-4-6... (truncated) (INChI) UBQKCCHYAOITMY-UHFFFAOYSA-N (InChI Key) InChI=1/C5H5NO/c7-5-3-1-2-4-6-... (truncated) (InChI with fixed H layer)
CAS-Number	930-70-1
Additional information	NCI Database; Links from Unichem: ChEMBL;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;eMolecules;IBM strategic IP insight platf... (truncated)
Molecule keywords
DOI
13C Spectrum	20078664 Rating: 10
Type	13C
Measurement conditions
Temperature [K]	Unreported
Solvent	Unreported
Field Strength [MHz]	Unreported
Assignment Method	Unreported
Literature
Additional comments	5347.MOL.2; Multiplicities generated automatically from H count
Additional information
Spectrum categories	ocmainz inhouse-2