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Home > Aldehydes > 175203-58-4
175203-58-4 | 2-Thiophenecarboxaldehyde, 4-(2-phenylethynyl)-
CAS No: 175203-58-4 Catalog No: AG0020KA MDL No:MFCD00174359
Product Description
Catalog Number:
AG0020KA
Chemical Name:
2-Thiophenecarboxaldehyde, 4-(2-phenylethynyl)-
CAS Number:
175203-58-4
Molecular Formula:
C13H8OS
Molecular Weight:
212.2670
MDL Number:
MFCD00174359
IUPAC Name:
4-(2-phenylethynyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C13H8OS/c14-9-13-8-12(10-15-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChI Key:
SAYKNBQCVYQQJF-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)C#Cc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.266g/mol
Monoisotopic Mass:
212.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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