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10522-43-7 molecular structure
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2,5-dimethylquinolin-8-ol

ChemBase ID: 310628
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
c12nc(ccc1c(ccc2O)C)C
Canonical SMILES:
Cc1ccc2c(n1)c(O)ccc2C
InChI:
InChI=1S/C11H11NO/c1-7-3-6-10(13)11-9(7)5-4-8(2)12-11/h3-6,13H,1-2H3
InChIKey:
GQUFSGXAEOXQJC-UHFFFAOYSA-N

Cite this record

CBID:310628 http://www.chembase.cn/molecule-310628.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethylquinolin-8-ol
IUPAC Traditional name
2,5-dimethylquinolin-8-ol
Synonyms
2,5-dimethyl-8-quinolinol
CAS Number
10522-43-7
MDL Number
MFCD00168975

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) 1.9987859  LogD (pH = 7.4) 2.4548318 
Log P 2.4721267  Molar Refractivity 51.5929 cm3
Polarizability 21.127869 Å3 Polar Surface Area 33.12 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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