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1,1,1-trifluoro-4-hydroxy-4-(2-methoxyphenyl)but-3-en-2-one

1,1,1-trifluoro-4-hydroxy-4-(2-methoxyphenyl)but-3-en-2-one

CAS: 15191-69-2

Formula: C11H9F3O3

SMILES: COC1=CC=CC=C1C(O)=CC(=O)C(F)(F)F

IUPAC: 1,1,1-trifluoro-4-hydroxy-4-(2-methoxyphenyl)but-3-en-2-one

InChI: InChI=1S/C11H9F3O3/c1-17-9-5-3-2-4-7(9)8(15)6-10(16)11(12,13)14/h2-6,15H,1H3

Composition: C (53.67%), H (3.69%), F (23.15%), O (19.50%)

Molar Mass: 246.185

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.050378639
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GTVVEEUNAZLZRT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.98
Topological Polar Surface Area 46.53
Polarizability 20.09
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 15191-69-2 $44.88-$1,168.75$44.88$50.49$84.15$149.60$201.03$645.15$1,168.75
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 15191-69-2 $65.00$65.00
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