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4357-31-7 molecular structure
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4-(4-ethoxyphenyl)pyridine

ChemBase ID: 292988
Molecular Formular: C13H13NO
Molecular Mass: 199.24842
Monoisotopic Mass: 199.09971404
SMILES and InChIs

SMILES:
CCOc1ccc(cc1)c1ccncc1
Canonical SMILES:
CCOc1ccc(cc1)c1ccncc1
InChI:
InChI=1S/C13H13NO/c1-2-15-13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-10H,2H2,1H3
InChIKey:
YHUFCEAPVPUJHE-UHFFFAOYSA-N

Cite this record

CBID:292988 http://www.chembase.cn/molecule-292988.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-ethoxyphenyl)pyridine
IUPAC Traditional name
4-(4-ethoxyphenyl)pyridine
Synonyms
4-(4-Ethoxyphenyl)pyridine
CAS Number
4357-31-7
PubChem SID
180678519
PubChem CID
70700933

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241872 Please log in.
Data Source Data ID
PubChem 70700933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4529757  LogD (pH = 7.4) 2.5995953 
Log P 2.6019354  Molar Refractivity 60.2491 cm3
Polarizability 24.816916 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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