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16027-16-0 molecular structure
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7-methoxyisoquinolin-1-ol

ChemBase ID: 814372
Molecular Formular: C10H9NO2
Molecular Mass: 175.18396
Monoisotopic Mass: 175.06332853
SMILES and InChIs

SMILES:
c1(cc2c(cc1)ccnc2O)OC
Canonical SMILES:
COc1ccc2c(c1)c(O)ncc2
InChI:
InChI=1S/C10H9NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6H,1H3,(H,11,12)
InChIKey:
UXAZFUABINHWGY-UHFFFAOYSA-N

Cite this record

CBID:814372 http://www.chembase.cn/molecule-814372.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxyisoquinolin-1-ol
IUPAC Traditional name
7-methoxyisoquinolin-1-ol
Synonyms
7-methoxyisoquinolin-1-ol
CAS Number
16027-16-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36534 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36534 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.098687  H Acceptors
H Donor LogD (pH = 5.5) 1.8782651 
LogD (pH = 7.4) 1.8782624  Log P 1.8782711 
Molar Refractivity 49.1089 cm3 Polarizability 20.07125 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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