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3-(3,4-dimethoxyphenyl)-1-(thiophen-3-yl)prop-2-en-1-one

3-(3,4-dimethoxyphenyl)-1-(thiophen-3-yl)prop-2-en-1-one

CAS: 947701-71-5

Formula: C15H14O3S

SMILES: COC1=C(OC)C=C(C=CC(=O)C2=CSC=C2)C=C1

IUPAC: 3-(3,4-dimethoxyphenyl)-1-(thiophen-3-yl)prop-2-en-1-one

InChI: InChI=1S/C15H14O3S/c1-17-14-6-4-11(9-15(14)18-2)3-5-13(16)12-7-8-19-10-12/h3-10H,1-2H3

Composition: C (65.67%), H (5.14%), O (17.50%), S (11.69%)

Molar Mass: 274.33

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 274.066365485
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RKPIVDJRGWSFOE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.91
Topological Polar Surface Area 35.53
Polarizability 28.95
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 947701-71-5 $51.35-$86.31$51.35$63.37$68.83$86.31
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