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1005772-69-9 molecular structure
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1-methoxyisoquinoline-4-carbaldehyde

ChemBase ID: 293314
Molecular Formular: C11H9NO2
Molecular Mass: 187.19466
Monoisotopic Mass: 187.06332853
SMILES and InChIs

SMILES:
O=Cc1cnc(OC)c2c1cccc2
Canonical SMILES:
O=Cc1cnc(c2c1cccc2)OC
InChI:
InChI=1S/C11H9NO2/c1-14-11-10-5-3-2-4-9(10)8(7-13)6-12-11/h2-7H,1H3
InChIKey:
BHEHOJBPPYHICZ-UHFFFAOYSA-N

Cite this record

CBID:293314 http://www.chembase.cn/molecule-293314.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxyisoquinoline-4-carbaldehyde
IUPAC Traditional name
1-methoxyisoquinoline-4-carbaldehyde
Synonyms
1-Methoxy-4-isoquinolinecarboxaldehyde
CAS Number
1005772-69-9
PubChem SID
180678845
PubChem CID
24766657

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD257097 Please log in.
Data Source Data ID
PubChem 24766657 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8940923  LogD (pH = 7.4) 1.8943356 
Log P 1.8943387  Molar Refractivity 53.712 cm3
Polarizability 21.369946 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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