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3-(2-fluoro-3-methoxyphenyl)propanoic acid

3-(2-fluoro-3-methoxyphenyl)propanoic acid

CAS: 1260656-30-1

Formula: C10H11FO3

SMILES: COC1=CC=CC(CCC(O)=O)=C1F

IUPAC: 3-(2-fluoro-3-methoxyphenyl)propanoic acid

InChI: InChI=1S/C10H11FO3/c1-14-8-4-2-3-7(10(8)11)5-6-9(12)13/h2-4H,5-6H2,1H3,(H,12,13)

Composition: C (60.60%), H (5.59%), F (9.59%), O (24.22%)

Molar Mass: 198.193

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.069222377
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JQMDQYQPJUKGMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.65
Topological Polar Surface Area 46.53
Polarizability 18.63
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260656-30-1 $1,860.00-$3,872.00$1,860.00$2,420.00$3,872.00
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