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242802-84-2 molecular structure
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3-methoxy-6-(4-methoxyphenyl)pyridazine

ChemBase ID: 796912
Molecular Formular: C12H12N2O2
Molecular Mass: 216.23588
Monoisotopic Mass: 216.08987763
SMILES and InChIs

SMILES:
n1nc(ccc1c1ccc(cc1)OC)OC
Canonical SMILES:
COc1ccc(cc1)c1ccc(nn1)OC
InChI:
InChI=1S/C12H12N2O2/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11/h3-8H,1-2H3
InChIKey:
MGFVBMZKYVEROA-UHFFFAOYSA-N

Cite this record

CBID:796912 http://www.chembase.cn/molecule-796912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-6-(4-methoxyphenyl)pyridazine
IUPAC Traditional name
3-methoxy-6-(4-methoxyphenyl)pyridazine
Synonyms
3-Methoxy-6-(4-Methoxyphenyl)pyridazine
CAS Number
242802-84-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4903 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4903 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0879812  LogD (pH = 7.4) 2.0879939 
Log P 2.087994  Molar Refractivity 61.7685 cm3
Polarizability 24.538345 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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