3-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile

3-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile

CAS: 649553-08-2

Formula: C15H10N2O2

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

IUPAC: 3-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile

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