ethyl 4-(2-methoxyphenyl)-2-oxo-6-(thiophen-3-yl)cyclohex-3-ene-1-carboxylate

ethyl 4-(2-methoxyphenyl)-2-oxo-6-(thiophen-3-yl)cyclohex-3-ene-1-carboxylate

CAS: 446275-96-3

Formula: C20H20O4S

SMILES: CCOC(=O)C1C(CC(=CC1=O)C1=C(OC)C=CC=C1)C1=CSC=C1

IUPAC: ethyl 4-(2-methoxyphenyl)-2-oxo-6-(thiophen-3-yl)cyclohex-3-ene-1-carboxylate

InChI: InChI=1/C20H20O4S/c1-3-24-20(22)19-16(13-8-9-25-12-13)10-14(11-17(19)21)15-6-4-5-7-18(15)23-2/h4-9,11-12,16,19H,3,10H2,1-2H3

Composition: C (67.39%), H (5.66%), O (17.95%), S (8.99%)

Molar Mass: 356.44

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	356.108230298
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XVYHFTUSYDJUNR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.74
Topological Polar Surface Area	52.6
Polarizability	37.53
Ring Count	3
Rotatable Bond Count	6

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95%	<2 Days	446275-96-3		$51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70