4-(4-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid

4-(4-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid

CAS: 883538-30-5

Formula: C14H18O4

SMILES: CCOC1=C(C)C=C(C=C1C)C(=O)CCC(O)=O

IUPAC: 4-(4-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid

InChI: InChI=1S/C14H18O4/c1-4-18-14-9(2)7-11(8-10(14)3)12(15)5-6-13(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)

Composition: C (67.18%), H (7.25%), O (25.57%)

Molar Mass: 250.294

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.12050906
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WPYQMXCIVGHKJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.65
Topological Polar Surface Area	63.6
Polarizability	26.16
Ring Count	1
Rotatable Bond Count	6

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