4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

CAS: 338966-41-9

Formula: C15H13N3O

SMILES: CC1=C(C#N)C(C2=C(O)C=CC=C2)C(C#N)=C(C)N1

IUPAC: 4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

InChI: InChI=1S/C15H13N3O/c1-9-12(7-16)15(13(8-17)10(2)18-9)11-5-3-4-6-14(11)19/h3-6,15,18-19H,1-2H3

Composition: C (71.70%), H (5.21%), N (16.72%), O (6.37%)

Molar Mass: 251.289

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.105862051
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DJRADRLIZYMDOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.24
Topological Polar Surface Area	79.84
Polarizability	27.11
Ring Count	2
Rotatable Bond Count	1

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90%	<2 Days	338966-41-9		$51.35-$524.40$51.35$63.37$86.31$524.40