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Home > Aldehydes > 125972-72-7
125972-72-7 | [2,2'-Bithiophene]-5-carboxaldehyde, 5'-ethynyl-
CAS No: 125972-72-7 Catalog No: AG000QLV MDL No:
Product Description
Catalog Number:
AG000QLV
Chemical Name:
[2,2'-Bithiophene]-5-carboxaldehyde, 5'-ethynyl-
CAS Number:
125972-72-7
Molecular Formula:
C11H6OS2
Molecular Weight:
218.2947
IUPAC Name:
5-(5-ethynylthiophen-2-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H6OS2/c1-2-8-3-5-10(13-8)11-6-4-9(7-12)14-11/h1,3-7H
InChI Key:
ZKNVMKPTFHTSKW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccc(s1)C#C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.288g/mol
Monoisotopic Mass:
217.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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