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303121-10-0 molecular structure
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6-ethoxy-4-hydroxyquinoline-3-carboxylic acid

ChemBase ID: 12848
Molecular Formular: C12H11NO4
Molecular Mass: 233.22004
Monoisotopic Mass: 233.06880784
SMILES and InChIs

SMILES:
c1(ccc2c(c1)c(c(cn2)C(=O)O)O)OCC
Canonical SMILES:
CCOc1ccc2c(c1)c(O)c(cn2)C(=O)O
InChI:
InChI=1S/C12H11NO4/c1-2-17-7-3-4-10-8(5-7)11(14)9(6-13-10)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKey:
FRMATZBTAXOKFT-UHFFFAOYSA-N

Cite this record

CBID:12848 http://www.chembase.cn/molecule-12848.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxy-4-hydroxyquinoline-3-carboxylic acid
IUPAC Traditional name
6-ethoxy-4-hydroxyquinoline-3-carboxylic acid
Synonyms
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid
6-ETHOXY-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID
CAS Number
303121-10-0
MDL Number
MFCD02217683
PubChem SID
160976155
PubChem CID
648345

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 648345 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7074409  H Acceptors
H Donor LogD (pH = 5.5) 0.33418557 
LogD (pH = 7.4) -1.0430381  Log P 2.3340547 
Molar Refractivity 60.4282 cm3 Polarizability 24.239603 Å3
Polar Surface Area 79.65 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
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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