(2Z)-3-(3,4-dimethoxyphenyl)-2-(pyridin-3-yl)prop-2-enenitrile

(2Z)-3-(3,4-dimethoxyphenyl)-2-(pyridin-3-yl)prop-2-enenitrile

CAS: 136831-48-6

Formula: C16H14N2O2

SMILES: COC1=C(OC)C=C(C=C(/C#N)C2=CN=CC=C2)C=C1

IUPAC: (2Z)-3-(3,4-dimethoxyphenyl)-2-(pyridin-3-yl)prop-2-enenitrile

InChI: InChI=1S/C16H14N2O2/c1-19-15-6-5-12(9-16(15)20-2)8-14(10-17)13-4-3-7-18-11-13/h3-9,11H,1-2H3/b14-8+

Composition: C (72.17%), H (5.30%), N (10.52%), O (12.02%)

Molar Mass: 266.3

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.105527699
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DBGZNJVTHYFQJI-RIYZIHGNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.26
Topological Polar Surface Area	55.14
Polarizability	29.17
Ring Count	2
Rotatable Bond Count	4

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