2-[3,4-bis(benzyloxy)phenyl]acetonitrile

2-[3,4-bis(benzyloxy)phenyl]acetonitrile

CAS: 1699-60-1

Formula: C22H19NO2

SMILES: N#CCC1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1

IUPAC: 2-[3,4-bis(benzyloxy)phenyl]acetonitrile

InChI: InChI=1S/C22H19NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13,16-17H2

Composition: C (80.22%), H (5.81%), N (4.25%), O (9.71%)

Molar Mass: 329.399

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	329.141578856
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JVNGVPICFBYTGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.5
Topological Polar Surface Area	42.25
Polarizability	38.09
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1699-60-1		$2,837.00-$4,344.00$2,837.00$4,344.00