(2S)-3-(4-fluorophenyl)-2-hydroxypropanoic acid

(2S)-3-(4-fluorophenyl)-2-hydroxypropanoic acid

CAS: 124980-93-4

Formula: C9H9FO3

SMILES: O[C@@H](CC1=CC=C(F)C=C1)C(O)=O

IUPAC: (2S)-3-(4-fluorophenyl)-2-hydroxypropanoic acid

InChI: InChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1

Composition: C (58.70%), H (4.93%), F (10.32%), O (26.06%)

Molar Mass: 184.166

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	184.053572313
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YZDVNWXOYGTHJO-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.68
Topological Polar Surface Area	57.53
Polarizability	16.76
Ring Count	1
Rotatable Bond Count	3

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