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

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

CAS: 175394-01-1

Formula: C14H18O3

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

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

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

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	UXLMZKLDVOQALH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.95
Topological Polar Surface Area	43.37
Polarizability	25.72
Ring Count	1
Rotatable Bond Count	6

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