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1445-55-2 molecular structure
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ethyl 3-hydroxypyridazine-4-carboxylate

ChemBase ID: 288245
Molecular Formular: C7H8N2O3
Molecular Mass: 168.15002
Monoisotopic Mass: 168.05349213
SMILES and InChIs

SMILES:
CCOC(=O)c1c(O)nncc1
Canonical SMILES:
CCOC(=O)c1ccnnc1O
InChI:
InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-4-8-9-6(5)10/h3-4H,2H2,1H3,(H,9,10)
InChIKey:
IIAVVOGGKSJORS-UHFFFAOYSA-N

Cite this record

CBID:288245 http://www.chembase.cn/molecule-288245.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-hydroxypyridazine-4-carboxylate
IUPAC Traditional name
ethyl 3-hydroxypyridazine-4-carboxylate
Synonyms
Ethyl 3-hydroxypyridazine-4-carboxylate
CAS Number
1445-55-2
PubChem SID
180673776
PubChem CID
12376255

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD174070 Please log in.
Data Source Data ID
PubChem 12376255 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.074311  H Acceptors
H Donor LogD (pH = 5.5) 1.0758418 
LogD (pH = 7.4) 0.9952567  Log P 1.0769806 
Molar Refractivity 42.8327 cm3 Polarizability 15.523696 Å3
Polar Surface Area 72.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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