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5-tert-butyl-1,3,4-oxadiazole-2-carboxylic acid

5-tert-butyl-1,3,4-oxadiazole-2-carboxylic acid

CAS: 944907-14-6

Formula: C7H10N2O3

SMILES: CC(C)(C)C1=NN=C(O1)C(O)=O

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

InChI: InChI=1S/C7H10N2O3/c1-7(2,3)6-9-8-4(12-6)5(10)11/h1-3H3,(H,10,11)

Composition: C (49.41%), H (5.92%), N (16.46%), O (28.21%)

Molar Mass: 170.168

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 170.06914219
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GICHIVOHAVLORQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.86
Topological Polar Surface Area 76.22
Polarizability 15.23
Ring Count 1
Rotatable Bond Count 2

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97% <2 Days 944907-14-6 $687.70-$6,762.00$687.70$1,127.00$1,817.00$6,762.00
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