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433975-12-3 molecular structure
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6-ethoxy-2-hydroxyquinoline-3-carbaldehyde

ChemBase ID: 143659
Molecular Formular: C12H11NO3
Molecular Mass: 217.22064
Monoisotopic Mass: 217.07389322
SMILES and InChIs

SMILES:
CCOc1ccc2c(c1)cc(c(n2)O)C=O
Canonical SMILES:
CCOc1ccc2c(c1)cc(c(n2)O)C=O
InChI:
InChI=1S/C12H11NO3/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(15)13-11/h3-7H,2H2,1H3,(H,13,15)
InChIKey:
YBQASFHARVIYGE-UHFFFAOYSA-N

Cite this record

CBID:143659 http://www.chembase.cn/molecule-143659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxy-2-hydroxyquinoline-3-carbaldehyde
IUPAC Traditional name
6-ethoxy-2-hydroxyquinoline-3-carbaldehyde
Synonyms
6-Ethoxy-2-hydroxyquinoline-3-carbaldehyde
6-ethoxy-2-hydroxyquinoline-3-carbaldehyde
CAS Number
433975-12-3
MDL Number
MFCD03198074
PubChem SID
162237876
PubChem CID
788666

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 788666 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.661104  H Acceptors
H Donor LogD (pH = 5.5) 2.9834166 
LogD (pH = 7.4) 2.9831967  Log P 2.9834318 
Molar Refractivity 60.0695 cm3 Polarizability 23.801027 Å3
Polar Surface Area 59.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Empirical Formula (Hill Notation)
C12H11NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00343 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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