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Home > Aldehydes > 100943-46-2
100943-46-2 | 2-Thiophenecarboxaldehyde, 5-hexyl-
CAS No: 100943-46-2 Catalog No: AG00039E MDL No:
Product Description
Catalog Number:
AG00039E
Chemical Name:
2-Thiophenecarboxaldehyde, 5-hexyl-
CAS Number:
100943-46-2
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
IUPAC Name:
5-hexylthiophene-2-carbaldehyde
InChI:
InChI=1S/C11H16OS/c1-2-3-4-5-6-10-7-8-11(9-12)13-10/h7-9H,2-6H2,1H3
InChI Key:
VWCAHBARARIQLV-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(s1)C=O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.092g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.308g/mol
Monoisotopic Mass:
196.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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