4-cyanophenyl 4-(but-3-en-1-yloxy)benzoate

4-cyanophenyl 4-(but-3-en-1-yloxy)benzoate

CAS: 114482-57-4

Formula: C18H15NO3

SMILES: C=CCCOC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N

IUPAC: 4-cyanophenyl 4-(but-3-en-1-yloxy)benzoate

InChI: InChI=1S/C18H15NO3/c1-2-3-12-21-16-10-6-15(7-11-16)18(20)22-17-8-4-14(13-19)5-9-17/h2,4-11H,1,3,12H2

Composition: C (73.71%), H (5.15%), N (4.78%), O (16.36%)

Molar Mass: 293.322

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	293.105193347
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XGRKLNHEYFRXFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.96
Topological Polar Surface Area	59.32
Polarizability	32.11
Ring Count	2
Rotatable Bond Count	7

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