3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid

3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid

Formula: C11H10F2O4

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

IUPAC: 3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid

InChI: InChI=1S/C11H10F2O4/c1-16-9-6-7(3-5-10(14)15)2-4-8(9)17-11(12)13/h2-6,11H,1H3,(H,14,15)

Composition: C (54.10%), H (4.13%), F (15.56%), O (26.21%)

Molar Mass: 244.194

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.054715128
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WLTUXAUWAGSABF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56
Topological Polar Surface Area	55.76
Polarizability	20.81
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H10F2O4		Quote Only