(2E)-3-(3-fluorophenyl)prop-2-enoic acid

(2E)-3-(3-fluorophenyl)prop-2-enoic acid

CAS: 458-46-8

Formula: C9H7FO2

SMILES: OC(=O)C=CC1=CC(F)=CC=C1

IUPAC: (2E)-3-(3-fluorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+

Composition: C (65.06%), H (4.25%), F (11.43%), O (19.26%)

Molar Mass: 166.151

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.043007628
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RTSIUKMGSDOSTI-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.28
Topological Polar Surface Area	37.3
Polarizability	15.82
Ring Count	1
Rotatable Bond Count	2

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