(2E)-3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid

(2E)-3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid

CAS: 682805-02-3

Formula: C10H9FO3

SMILES: COC1=C(C=CC(O)=O)C(F)=CC=C1

IUPAC: (2E)-3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C10H9FO3/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6H,1H3,(H,12,13)/b6-5+

Composition: C (61.23%), H (4.62%), F (9.68%), O (24.47%)

Molar Mass: 196.177

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.053572313
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YUVNOPHHSLSHKS-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.74
Topological Polar Surface Area	46.53
Polarizability	18.38
Ring Count	1
Rotatable Bond Count	3

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