ethyl (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

ethyl (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

CAS: 2017-88-1

Formula: C13H13NO2

SMILES: CCOC(=O)C(=CC1=CC=C(C)C=C1)C#N

IUPAC: ethyl (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

InChI: InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-10(2)5-7-11/h4-8H,3H2,1-2H3/b12-8+

Composition: C (72.54%), H (6.09%), N (6.51%), O (14.87%)

Molar Mass: 215.252

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.094628663
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KKIZDEFOEGGSKX-XYOKQWHBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.67
Topological Polar Surface Area	50.09
Polarizability	23.5
Ring Count	1
Rotatable Bond Count	4

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