tert-butyl 2-cyano-2-(pyrazin-2-yl)acetate

tert-butyl 2-cyano-2-(pyrazin-2-yl)acetate

CAS: 930395-88-3

Formula: C11H13N3O2

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

IUPAC: tert-butyl 2-cyano-2-(pyrazin-2-yl)acetate

InChI: InChI=1/C11H13N3O2/c1-11(2,3)16-10(15)8(6-12)9-7-13-4-5-14-9/h4-5,7-8H,1-3H3

Composition: C (60.26%), H (5.98%), N (19.17%), O (14.59%)

Molar Mass: 219.244

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.100776671
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LWVNNGDSNSDZKD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.53
Topological Polar Surface Area	75.87
Polarizability	22.07
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	930395-88-3		$292.55-$1,670.83$292.55$556.10$1,670.83