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3482-14-2 molecular structure
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isoquinolin-8-ol

ChemBase ID: 64567
Molecular Formular: C9H7NO
Molecular Mass: 145.15798
Monoisotopic Mass: 145.05276385
SMILES and InChIs

SMILES:
c12c(O)cccc1ccnc2
Canonical SMILES:
Oc1cccc2c1cncc2
InChI:
InChI=1S/C9H7NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h1-6,11H
InChIKey:
ZIXWTPREILQLAC-UHFFFAOYSA-N

Cite this record

CBID:64567 http://www.chembase.cn/molecule-64567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
isoquinolin-8-ol
IUPAC Traditional name
isoquinolin-8-ol
Synonyms
8-Hydroxyisoquinoline
Isoquinolin-8-ol
8-Hydroxyisoquinoline 96%
8-Isoquinolinol
Isoquinolin-8-ol
CAS Number
3482-14-2
MDL Number
MFCD00661583
PubChem SID
162030306
PubChem CID
343750

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.535819  H Acceptors
H Donor LogD (pH = 5.5) 0.995124 
LogD (pH = 7.4) 1.3922474  Log P 1.4414848 
Molar Refractivity 42.3322 cm3 Polarizability 17.590364 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% 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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