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Home > Aldehydes > 922166-64-1
922166-64-1 | 2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl-
CAS No: 922166-64-1 Catalog No: AG006FA1 MDL No:
Product Description
Catalog Number:
AG006FA1
Chemical Name:
2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl-
CAS Number:
922166-64-1
Molecular Formula:
C15H20OS
Molecular Weight:
248.3837
IUPAC Name:
3,4-dibutyl-5-ethynylthiophene-2-carbaldehyde
InChI:
InChI=1S/C15H20OS/c1-4-7-9-12-13(10-8-5-2)15(11-16)17-14(12)6-3/h3,11H,4-5,7-10H2,1-2H3
InChI Key:
HRNKIKHKVNPUNM-UHFFFAOYSA-N
SMILES:
CCCCc1c(C#C)sc(c1CCCC)C=O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.384g/mol
Monoisotopic Mass:
248.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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