ethyl 4-(3,5-dimethylphenyl)-3-oxobutanoate

ethyl 4-(3,5-dimethylphenyl)-3-oxobutanoate

CAS: 1283293-97-9

Formula: C14H18O3

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

IUPAC: ethyl 4-(3,5-dimethylphenyl)-3-oxobutanoate

InChI: InChI=1S/C14H18O3/c1-4-17-14(16)9-13(15)8-12-6-10(2)5-11(3)7-12/h5-7H,4,8-9H2,1-3H3

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	HPZYGPRGDUEQCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.86
Topological Polar Surface Area	43.37
Polarizability	25.74
Ring Count	1
Rotatable Bond Count	6

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