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76509-17-6 molecular structure
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3-(benzyloxy)pyridine

ChemBase ID: 64982
Molecular Formular: C12H11NO
Molecular Mass: 185.22184
Monoisotopic Mass: 185.08406398
SMILES and InChIs

SMILES:
c1cncc(c1)OCc1ccccc1
Canonical SMILES:
c1ccc(cc1)COc1cccnc1
InChI:
InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
InChIKey:
LLWFWIZOFFLRKC-UHFFFAOYSA-N

Cite this record

CBID:64982 http://www.chembase.cn/molecule-64982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(benzyloxy)pyridine
IUPAC Traditional name
3-(benzyloxy)pyridine
Synonyms
3-Benzyloxypyridine
CAS Number
76509-17-6
MDL Number
MFCD13151998
PubChem SID
162030721
PubChem CID
10012635

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 10012635 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2547345  LogD (pH = 7.4) 2.321437 
Log P 2.3223753  Molar Refractivity 54.9769 cm3
Polarizability 21.556038 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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