benzyl 3-(cyanomethylidene)azetidine-1-carboxylate

benzyl 3-(cyanomethylidene)azetidine-1-carboxylate

CAS: 1994325-11-9

Formula: C13H12N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CC(C1)=CC#N

IUPAC: benzyl 3-(cyanomethylidene)azetidine-1-carboxylate

InChI: InChI=1S/C13H12N2O2/c14-7-6-12-8-15(9-12)13(16)17-10-11-4-2-1-3-5-11/h1-6H,8-10H2

Composition: C (68.41%), H (5.30%), N (12.27%), O (14.02%)

Molar Mass: 228.251

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.089877634
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RVCFRLZUFFRFAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.75
Topological Polar Surface Area	53.33
Polarizability	23.99
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1994325-11-9		$585.10$585.10