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88114-03-8 | 1-Dibenzothiopheneacetaldehyde
CAS No: 88114-03-8 Catalog No: AG004E4S MDL No:
Product Description
Catalog Number:
AG004E4S
Chemical Name:
1-Dibenzothiopheneacetaldehyde
CAS Number:
88114-03-8
Molecular Formula:
C14H10OS
Molecular Weight:
226.2936
IUPAC Name:
2-dibenzothiophen-1-ylacetaldehyde
InChI:
InChI=1S/C14H10OS/c15-9-8-10-4-3-7-13-14(10)11-5-1-2-6-12(11)16-13/h1-7,9H,8H2
InChI Key:
HVJLUCZGVZVKOD-UHFFFAOYSA-N
SMILES:
O=CCc1cccc2c1c1ccccc1s2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.293g/mol
Monoisotopic Mass:
226.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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