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Home > Aldehydes > 192826-93-0
192826-93-0 | Benzo[b]thiophene-2-carboxaldehyde, 3-(2-phenylethyl)-
CAS No: 192826-93-0 Catalog No: AG002GDK MDL No:
Product Description
Catalog Number:
AG002GDK
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 3-(2-phenylethyl)-
CAS Number:
192826-93-0
Molecular Formula:
C17H14OS
Molecular Weight:
266.3575
IUPAC Name:
3-(2-phenylethyl)-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C17H14OS/c18-12-17-15(11-10-13-6-2-1-3-7-13)14-8-4-5-9-16(14)19-17/h1-9,12H,10-11H2
InChI Key:
GPYFUXVNRQURCL-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1CCc1ccccc1)cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.358g/mol
Monoisotopic Mass:
266.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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