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Details
Other tautomers of this molecule:
User input (2D)
Corina generated (3D)
Spectral Data
Additional Data
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Molecule
20027597
Chemical name(s)
Chemical formula
C
5
H
5
NO
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:
ChEBI (Chemical Entities of Biological Interest).;SureChEMBL;Metabolights;ChemicalBook;IBM strategic IP insight platform and the National Institutes of Health;PubChem ('Thomson Pharma' subset)... (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
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