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103854-64-4 molecular structure
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8-methoxyquinoline-2-carbaldehyde

ChemBase ID: 119521
Molecular Formular: C11H9NO2
Molecular Mass: 187.19466
Monoisotopic Mass: 187.06332853
SMILES and InChIs

SMILES:
n1c2c(OC)cccc2ccc1C=O
Canonical SMILES:
COc1cccc2c1nc(C=O)cc2
InChI:
InChI=1S/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3
InChIKey:
WXFAZCYUMXZXBA-UHFFFAOYSA-N

Cite this record

CBID:119521 http://www.chembase.cn/molecule-119521.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxyquinoline-2-carbaldehyde
IUPAC Traditional name
8-methoxyquinoline-2-carbaldehyde
Synonyms
8-methoxyquinoline-2-carbaldehyde
CAS Number
103854-64-4
MDL Number
MFCD05864557
PubChem SID
162107643
PubChem CID
1548870

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3602495  LogD (pH = 7.4) 2.3602743 
Log P 2.3602746  Molar Refractivity 52.6413 cm3
Polarizability 21.377466 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.186 expand Show data source
Purity
95% expand Show data source
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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