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74557-73-6 molecular structure
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6-methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

ChemBase ID: 64348
Molecular Formular: C6H6N2O3
Molecular Mass: 154.12344
Monoisotopic Mass: 154.03784206
SMILES and InChIs

SMILES:
c1(c(=O)[nH]nc(c1)C)C(=O)O
Canonical SMILES:
Cc1n[nH]c(=O)c(c1)C(=O)O
InChI:
InChI=1S/C6H6N2O3/c1-3-2-4(6(10)11)5(9)8-7-3/h2H,1H3,(H,8,9)(H,10,11)
InChIKey:
MHYFUPKDKSSFRZ-UHFFFAOYSA-N

Cite this record

CBID:64348 http://www.chembase.cn/molecule-64348.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
IUPAC Traditional name
6-methyl-3-oxo-2H-pyridazine-4-carboxylic acid
Synonyms
4-Carboxy-2,3-dihydro-6-methyl-3-oxopyridazine
2,3-Dihydro-6-methyl-3-oxopyridazine-4-carboxylic acid 97%
6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CAS Number
74557-73-6
MDL Number
MFCD08235213
PubChem SID
162030087
PubChem CID
24277240

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7009835  H Acceptors
H Donor LogD (pH = 5.5) -2.5075135 
LogD (pH = 7.4) -4.0149345  Log P -0.7096545 
Molar Refractivity 36.5117 cm3 Polarizability 13.418496 Å3
Polar Surface Area 78.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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