tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate

tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate

CAS: 1493737-08-8

Formula: C9H14N2O3

SMILES: CC(C)(C)OC(=O)N1CC(O)(C1)C#N

IUPAC: tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate

InChI: InChI=1S/C9H14N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,5-6H2,1-3H3

Composition: C (54.53%), H (7.12%), N (14.13%), O (24.21%)

Molar Mass: 198.222

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	198.100442319
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ORIZOARFGLMZHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.79
Topological Polar Surface Area	73.56
Polarizability	19.04
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1493737-08-8		$148.80-$1,377.01$148.80$451.44$778.04$1,377.01