ethyl 4-(4-methylphenyl)-4-oxobutanoate

ethyl 4-(4-methylphenyl)-4-oxobutanoate

CAS: 6942-61-6

Formula: C13H16O3

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

IUPAC: ethyl 4-(4-methylphenyl)-4-oxobutanoate

InChI: InChI=1S/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

Composition: C (70.89%), H (7.32%), O (21.79%)

Molar Mass: 220.268

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.109944375
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LFHSFGIXTQENJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.91
Topological Polar Surface Area	43.37
Polarizability	23.96
Ring Count	1
Rotatable Bond Count	6

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