ethyl 2-acetyl-5-phenylpent-4-enoate

ethyl 2-acetyl-5-phenylpent-4-enoate

CAS: 108400-97-1

Formula: C15H18O3

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

IUPAC: ethyl 2-acetyl-5-phenylpent-4-enoate

InChI: InChI=1/C15H18O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h4-10,14H,3,11H2,1-2H3

Composition: C (73.15%), H (7.37%), O (19.49%)

Molar Mass: 246.306

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	246.12559444
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CWQNCOQPLICNMH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.65
Topological Polar Surface Area	43.37
Polarizability	27.49
Ring Count	1
Rotatable Bond Count	7

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90%	<2 Days	108400-97-1		$51.35-$524.40$51.35$63.37$86.31$524.40