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49826-70-2 molecular structure
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4-(benzyloxy)pyridine

ChemBase ID: 806395
Molecular Formular: C12H11NO
Molecular Mass: 185.22184
Monoisotopic Mass: 185.08406398
SMILES and InChIs

SMILES:
n1ccc(cc1)OCc1ccccc1
Canonical SMILES:
c1ccc(cc1)COc1ccncc1
InChI:
InChI=1S/C12H11NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-9H,10H2
InChIKey:
WBCDUONHBLSZED-UHFFFAOYSA-N

Cite this record

CBID:806395 http://www.chembase.cn/molecule-806395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(benzyloxy)pyridine
IUPAC Traditional name
4-(benzyloxy)pyridine
Synonyms
4-(BENZYLOXY)PYRIDINE
CAS Number
49826-70-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24005 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24005 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6068856  LogD (pH = 7.4) 2.2805476 
Log P 2.3223753  Molar Refractivity 54.9769 cm3
Polarizability 21.552626 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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