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38028-67-0 molecular structure
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3-ethoxypyridazine

ChemBase ID: 288785
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
CCOc1nnccc1
Canonical SMILES:
CCOc1cccnn1
InChI:
InChI=1S/C6H8N2O/c1-2-9-6-4-3-5-7-8-6/h3-5H,2H2,1H3
InChIKey:
ZVVWBPYZGKHHSR-UHFFFAOYSA-N

Cite this record

CBID:288785 http://www.chembase.cn/molecule-288785.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxypyridazine
IUPAC Traditional name
pyridazine, 3-ethoxy-
Synonyms
2-Ethoxypyrazine
3-Ethoxypyridazine
CAS Number
38028-67-0
62567-44-6
MDL Number
MFCD00014609
PubChem SID
180674316
PubChem CID
520878

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 520878 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5693646  LogD (pH = 7.4) 0.5693972 
Log P 0.5693976  Molar Refractivity 35.2897 cm3
Polarizability 12.914911 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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