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142054-74-8 molecular structure
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6-ethoxypyridazine-3-carboxylic acid

ChemBase ID: 114053
Molecular Formular: C7H8N2O3
Molecular Mass: 168.15002
Monoisotopic Mass: 168.05349213
SMILES and InChIs

SMILES:
c1(nnc(cc1)OCC)C(=O)O
Canonical SMILES:
CCOc1ccc(nn1)C(=O)O
InChI:
InChI=1S/C7H8N2O3/c1-2-12-6-4-3-5(7(10)11)8-9-6/h3-4H,2H2,1H3,(H,10,11)
InChIKey:
HMNDGPIMVAZVTF-UHFFFAOYSA-N

Cite this record

CBID:114053 http://www.chembase.cn/molecule-114053.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxypyridazine-3-carboxylic acid
IUPAC Traditional name
6-ethoxypyridazine-3-carboxylic acid
Synonyms
6-ethoxypyridazine-3-carboxylic acid
CAS Number
142054-74-8
MDL Number
MFCD12152589
PubChem SID
162098875
PubChem CID
33675835

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1967-0116 external link Add to cart Please log in.
Data Source Data ID
PubChem 33675835 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.550546  H Acceptors
H Donor LogD (pH = 5.5) -1.3341181 
LogD (pH = 7.4) -2.748132  Log P 0.6128309 
Molar Refractivity 42.1739 cm3 Polarizability 15.359188 Å3
Polar Surface Area 72.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
1.252 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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