4-(4-cyanobenzoyl)phenyl acetate

4-(4-cyanobenzoyl)phenyl acetate

CAS: 890099-56-6

Formula: C16H11NO3

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

IUPAC: 4-(4-cyanobenzoyl)phenyl acetate

InChI: InChI=1S/C16H11NO3/c1-11(18)20-15-8-6-14(7-9-15)16(19)13-4-2-12(10-17)3-5-13/h2-9H,1H3

Composition: C (72.45%), H (4.18%), N (5.28%), O (18.09%)

Molar Mass: 265.268

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	265.073893218
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QOQFSWINMSHEOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.49
Topological Polar Surface Area	67.16
Polarizability	28.23
Ring Count	2
Rotatable Bond Count	4

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