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methyl 4-oxo-4-phenyl-2-(thiophen-2-ylmethyl)but-2-enoate

methyl 4-oxo-4-phenyl-2-(thiophen-2-ylmethyl)but-2-enoate

CAS: 860785-79-1

Formula: C16H14O3S

SMILES: COC(=O)C(CC1=CC=CS1)=CC(=O)C1=CC=CC=C1

IUPAC: methyl 4-oxo-4-phenyl-2-[(thiophen-2-yl)methyl]but-2-enoate

InChI: InChI=1S/C16H14O3S/c1-19-16(18)13(10-14-8-5-9-20-14)11-15(17)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3

Composition: C (67.11%), H (4.93%), O (16.76%), S (11.20%)

Molar Mass: 286.35

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 286.066365485
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FNOXDFPVGBKSBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.29
Topological Polar Surface Area 43.37
Polarizability 30.2
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860785-79-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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