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52536-09-1 molecular structure
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3-(sodiooxy)pyridine

ChemBase ID: 92022
Molecular Formular: C5H4NNaO
Molecular Mass: 117.08113
Monoisotopic Mass: 117.01905803
SMILES and InChIs

SMILES:
n1cc(ccc1)O[Na]
Canonical SMILES:
[Na]Oc1cccnc1
InChI:
InChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1
InChIKey:
WHYQZPOBOBSAIS-UHFFFAOYSA-M

Cite this record

CBID:92022 http://www.chembase.cn/molecule-92022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(sodiooxy)pyridine
IUPAC Traditional name
3-(sodiooxy)pyridine
Synonyms
3-Hydroxypyridine, sodium salt
CAS Number
52536-09-1
MDL Number
MFCD00078091
PubChem SID
162078720
PubChem CID
2723769

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2723769 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 0.75934714  Log P 0.7615 
Molar Refractivity 24.6676 cm3 Polarizability 11.761908 Å3
Polar Surface Area 22.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.62143135 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
>300°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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