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22099-23-6 | Dibenzo[b,d]thiophene-2-carbaldehyde
CAS No: 22099-23-6 Catalog No: AG007PM8 MDL No:MFCD02251670
Product Description
Catalog Number:
AG007PM8
Chemical Name:
Dibenzo[b,d]thiophene-2-carbaldehyde
CAS Number:
22099-23-6
Molecular Formula:
C13H8OS
Molecular Weight:
212.2670
MDL Number:
MFCD02251670
IUPAC Name:
dibenzothiophene-2-carbaldehyde
InChI:
InChI=1S/C13H8OS/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8H
InChI Key:
QFGXAEFJJINHAI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c1ccccc1s2
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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