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888504-28-7 molecular structure
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5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium hydride

ChemBase ID: 806333
Molecular Formular: C4H4KN2O3
Molecular Mass: 167.18446
Monoisotopic Mass: 166.98589868
SMILES and InChIs

SMILES:
[K].o1c(nnc1C)C(=O)O
Canonical SMILES:
Cc1nnc(o1)C(=O)O.[K]
InChI:
InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);
InChIKey:
PYKIGFHZXPMVQL-UHFFFAOYSA-N

Cite this record

CBID:806333 http://www.chembase.cn/molecule-806333.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium hydride
IUPAC Traditional name
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium hydride
Synonyms
5-METHYL-1,3,4-OXADIAZOLE-2-CARBOXYLIC ACID POTASSIUM SALT
CAS Number
888504-28-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23868 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23868 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.598464  H Acceptors
H Donor LogD (pH = 5.5) -3.6973565 
LogD (pH = 7.4) -4.393984  Log P -0.8871219 
Molar Refractivity 28.1577 cm3 Polarizability 9.846839 Å3
Polar Surface Area 76.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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