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131002-10-3 molecular structure
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6-methylisoquinolin-1-ol

ChemBase ID: 814380
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
c1cc2c(cc1C)ccnc2O
Canonical SMILES:
Cc1ccc2c(c1)ccnc2O
InChI:
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
InChIKey:
AVBPTIYKXNVKNJ-UHFFFAOYSA-N

Cite this record

CBID:814380 http://www.chembase.cn/molecule-814380.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methylisoquinolin-1-ol
IUPAC Traditional name
6-methylisoquinolin-1-ol
Synonyms
6-methylisoquinolin-1-ol
CAS Number
131002-10-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36542 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36542 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.942324  H Acceptors
H Donor LogD (pH = 5.5) 2.5493488 
LogD (pH = 7.4) 2.5493512  Log P 2.5493639 
Molar Refractivity 47.6869 cm3 Polarizability 19.357702 Å3
Polar Surface Area 33.12 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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