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37972-69-3 molecular structure
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6-hydroxypyridazine-3-carboxylic acid

ChemBase ID: 53169
Molecular Formular: C5H4N2O3
Molecular Mass: 140.09686
Monoisotopic Mass: 140.022192
SMILES and InChIs

SMILES:
c1(ccc(nn1)C(=O)O)O
Canonical SMILES:
Oc1ccc(nn1)C(=O)O
InChI:
InChI=1S/C5H4N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H,(H,7,8)(H,9,10)
InChIKey:
GIFSROMQVPUQFK-UHFFFAOYSA-N

Cite this record

CBID:53169 http://www.chembase.cn/molecule-53169.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-hydroxypyridazine-3-carboxylic acid
IUPAC Traditional name
6-hydroxypyridazine-3-carboxylic acid
Synonyms
6-Hydroxypyridazine-3-carboxylic acid
6-hydroxy-3-pyridazinecarboxylic acid monohydrate
3-Hydroxypyridazine-6-carboxylic acid
6-Hydroxy-3-pyridazinecarboxylic acid
CAS Number
37972-69-3
MDL Number
MFCD09258787
MFCD09064936
MFCD00052805
PubChem SID
162057932
PubChem CID
305970

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.566883  H Acceptors
H Donor LogD (pH = 5.5) -1.8301611 
LogD (pH = 7.4) -3.3109474  Log P 0.11012888 
Molar Refractivity 32.943 cm3 Polarizability 11.678068 Å3
Polar Surface Area 83.31 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
97% expand Show data source
98% expand Show data source
min 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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