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34253-02-6 molecular structure
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methyl pyridazine-3-carboxylate

ChemBase ID: 63263
Molecular Formular: C6H6N2O2
Molecular Mass: 138.12404
Monoisotopic Mass: 138.04292744
SMILES and InChIs

SMILES:
c1(cccnn1)C(=O)OC
Canonical SMILES:
COC(=O)c1cccnn1
InChI:
InChI=1S/C6H6N2O2/c1-10-6(9)5-3-2-4-7-8-5/h2-4H,1H3
InChIKey:
ITMAHDJHOXDZEL-UHFFFAOYSA-N

Cite this record

CBID:63263 http://www.chembase.cn/molecule-63263.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl pyridazine-3-carboxylate
IUPAC Traditional name
methyl pyridazine-3-carboxylate
Synonyms
Methyl pyridazine-3-carboxylate
CAS Number
34253-02-6
MDL Number
MFCD10698044
PubChem SID
162029002
PubChem CID
13011730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13011730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.034869794  LogD (pH = 7.4) -0.03486928 
Log P -0.034869272  Molar Refractivity 35.4177 cm3
Polarizability 13.032059 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% 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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