2H,3H-pyrazolo[3,2-b][1,3]oxazole-6-carboxylic acid

2H,3H-pyrazolo[3,2-b][1,3]oxazole-6-carboxylic acid

CAS: 1239722-75-8

Formula: C6H6N2O3

SMILES: OC(=O)C1=NN2CCOC2=C1

IUPAC: 2H,3H-pyrazolo[3,2-b][1,3]oxazole-6-carboxylic acid

InChI: InChI=1S/C6H6N2O3/c9-6(10)4-3-5-8(7-4)1-2-11-5/h3H,1-2H2,(H,9,10)

Composition: C (46.76%), H (3.92%), N (18.18%), O (31.14%)

Molar Mass: 154.125

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.037842061
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VIJQAWCUVDTCAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.59
Topological Polar Surface Area	64.35
Polarizability	13.21
Ring Count	2
Rotatable Bond Count	1

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