4-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile

4-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile

CAS: 649553-07-1

Formula: C15H10N2O2

SMILES: OCC1=CC=C(OC2=CC(C#N)=C(C=C2)C#N)C=C1

IUPAC: 4-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile

InChI: InChI=1S/C15H10N2O2/c16-8-12-3-6-15(7-13(12)9-17)19-14-4-1-11(10-18)2-5-14/h1-7,18H,10H2

Composition: C (71.99%), H (4.03%), N (11.19%), O (12.79%)

Molar Mass: 250.257

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.07422757
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NCTXRQVAZBODIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.56
Topological Polar Surface Area	77.04
Polarizability	26.77
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	649553-07-1		$2,976.00-$7,800.00$2,976.00$5,760.00$7,800.00