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3-ethyl-1,2,4-oxadiazole-5-carboxylic acid

3-ethyl-1,2,4-oxadiazole-5-carboxylic acid

CAS: 944906-35-8

Formula: C5H6N2O3

SMILES: CCC1=NOC(=N1)C(O)=O

IUPAC: 3-ethyl-1,2,4-oxadiazole-5-carboxylic acid

InChI: InChI=1S/C5H6N2O3/c1-2-3-6-4(5(8)9)10-7-3/h2H2,1H3,(H,8,9)

Composition: C (42.26%), H (4.26%), N (19.71%), O (33.77%)

Molar Mass: 142.114

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 142.037842061
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KVNQOXNACAXNTO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.66
Topological Polar Surface Area 76.22
Polarizability 11.63
Ring Count 1
Rotatable Bond Count 2

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