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

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

CAS: 623565-50-4

Formula: C6H6N2O2

SMILES: O=CC1=NN2CCOC2=C1

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

InChI: InChI=1S/C6H6N2O2/c9-4-5-3-6-8(7-5)1-2-10-6/h3-4H,1-2H2

Composition: C (52.17%), H (4.38%), N (20.28%), O (23.17%)

Molar Mass: 138.126

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	138.042927441
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HRWUBJRFWUWTLF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.91
Topological Polar Surface Area	44.12
Polarizability	12.68
Ring Count	2
Rotatable Bond Count	1

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