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5-(2-phenylethynyl)thiophene-2-carbaldehyde

5-(2-phenylethynyl)thiophene-2-carbaldehyde

Formula: C13H8OS

SMILES: O=CC1=CC=C(S1)C#CC1=CC=CC=C1

IUPAC: 5-(2-phenylethynyl)thiophene-2-carbaldehyde

InChI: InChI=1S/C13H8OS/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H

Composition: C (73.56%), H (3.80%), O (7.54%), S (15.10%)

Molar Mass: 212.27

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.029586052
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YFMUACLZRVJOBK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.15
Topological Polar Surface Area 17.07
Polarizability 23.05
Ring Count 2
Rotatable Bond Count 3

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