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22049-19-0 molecular structure
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5-(ethoxymethyl)quinolin-8-ol

ChemBase ID: 311176
Molecular Formular: C12H13NO2
Molecular Mass: 203.23712
Monoisotopic Mass: 203.09462866
SMILES and InChIs

SMILES:
c12c(c(ccc2O)COCC)cccn1
Canonical SMILES:
CCOCc1ccc(c2c1cccn2)O
InChI:
InChI=1S/C12H13NO2/c1-2-15-8-9-5-6-11(14)12-10(9)4-3-7-13-12/h3-7,14H,2,8H2,1H3
InChIKey:
JQYCYUYNAZPXJQ-UHFFFAOYSA-N

Cite this record

CBID:311176 http://www.chembase.cn/molecule-311176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(ethoxymethyl)quinolin-8-ol
IUPAC Traditional name
5-(ethoxymethyl)quinolin-8-ol
Synonyms
5-(ethoxymethyl)-8-quinolinol
CAS Number
22049-19-0
MDL Number
MFCD01057783

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0245771  LogD (pH = 7.4) 2.0419059 
Log P 2.0599198  Molar Refractivity 58.2759 cm3
Polarizability 23.781246 Å3 Polar Surface Area 42.35 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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