ethyl 5-(2-methylphenyl)-5-oxopentanoate

ethyl 5-(2-methylphenyl)-5-oxopentanoate

CAS: 100972-13-2

Formula: C14H18O3

SMILES: CCOC(=O)CCCC(=O)C1=CC=CC=C1C

IUPAC: ethyl 5-(2-methylphenyl)-5-oxopentanoate

InChI: InChI=1S/C14H18O3/c1-3-17-14(16)10-6-9-13(15)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3

Composition: C (71.77%), H (7.74%), O (20.49%)

Molar Mass: 234.295

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.12559444
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YKQSQPIRAFTQAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.51
Topological Polar Surface Area	43.37
Polarizability	25.8
Ring Count	1
Rotatable Bond Count	7

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