ethyl 4-[(1E)-2-phenylethenyl]benzoate

ethyl 4-[(1E)-2-phenylethenyl]benzoate

CAS: 109463-48-1

Formula: C17H16O2

SMILES: CCOC(=O)C1=CC=C(C=CC2=CC=CC=C2)C=C1

IUPAC: ethyl 4-[(1E)-2-phenylethenyl]benzoate

InChI: InChI=1S/C17H16O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+

Composition: C (80.93%), H (6.39%), O (12.68%)

Molar Mass: 252.313

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.115029755
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RBQGAPDZGPQIDL-CMDGGOBGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.29
Topological Polar Surface Area	26.3
Polarizability	29.65
Ring Count	2
Rotatable Bond Count	5

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