3-(1,3,4-oxadiazol-2-yl)benzoic acid

3-(1,3,4-oxadiazol-2-yl)benzoic acid

CAS: 1176505-26-2

Formula: C9H6N2O3

SMILES: OC(=O)C1=CC=CC(=C1)C1=NN=CO1

IUPAC: 3-(1,3,4-oxadiazol-2-yl)benzoic acid

InChI: InChI=1S/C9H6N2O3/c12-9(13)7-3-1-2-6(4-7)8-11-10-5-14-8/h1-5H,(H,12,13)

Composition: C (56.85%), H (3.18%), N (14.73%), O (25.24%)

Molar Mass: 190.158

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	190.037842061
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MJPAHMZEXVECGY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.34
Topological Polar Surface Area	76.22
Polarizability	18.1
Ring Count	2
Rotatable Bond Count	2

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