(2E)-3-(3-fluoro-2-methylphenyl)prop-2-enoic acid

(2E)-3-(3-fluoro-2-methylphenyl)prop-2-enoic acid

CAS: 155814-23-6

Formula: C10H9FO2

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

IUPAC: (2E)-3-(3-fluoro-2-methylphenyl)prop-2-enoic acid

InChI: InChI=1S/C10H9FO2/c1-7-8(5-6-10(12)13)3-2-4-9(7)11/h2-6H,1H3,(H,12,13)/b6-5+

Composition: C (66.66%), H (5.04%), F (10.54%), O (17.76%)

Molar Mass: 180.178

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.058657693
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NZDLRLIWXWVPES-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.32
Topological Polar Surface Area	37.3
Polarizability	17.58
Ring Count	1
Rotatable Bond Count	2

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