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25185-89-1

25185-89-1 | 3-Dibenzothiophenecarboxaldehyde

CAS No: 25185-89-1 Catalog No: AG002QS7 MDL No:

Product Description

Catalog Number:
AG002QS7
Chemical Name:
3-Dibenzothiophenecarboxaldehyde
CAS Number:
25185-89-1
Molecular Formula:
C13H8OS
Molecular Weight:
212.2670
IUPAC Name:
dibenzothiophene-3-carbaldehyde
InChI:
InChI=1S/C13H8OS/c14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-8H
InChI Key:
FFBCUIZXWJMUDW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)sc1c2cccc1

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.266g/mol
Monoisotopic Mass:
212.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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