4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid

4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid

CAS: 349-22-4

Formula: C11H11FO3

SMILES: CC1=CC(=CC=C1F)C(=O)CCC(O)=O

IUPAC: 4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid

InChI: InChI=1S/C11H11FO3/c1-7-6-8(2-3-9(7)12)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

Composition: C (62.85%), H (5.27%), F (9.04%), O (22.83%)

Molar Mass: 210.204

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.069222377
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RDWYSVCUOZOEBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.61
Topological Polar Surface Area	54.37
Polarizability	19.77
Ring Count	1
Rotatable Bond Count	4

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