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23985-81-1 | Dibenzo[b,d]thiophene-4-carbaldehyde
CAS No: 23985-81-1 Catalog No: AG003PBH MDL No:MFCD00961967
Product Description
Catalog Number:
AG003PBH
Chemical Name:
Dibenzo[b,d]thiophene-4-carbaldehyde
CAS Number:
23985-81-1
Molecular Formula:
C13H8OS
Molecular Weight:
212.2670
MDL Number:
MFCD00961967
IUPAC Name:
dibenzothiophene-4-carbaldehyde
InChI:
InChI=1S/C13H8OS/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H
InChI Key:
XESZAOMRYLSHOM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1sc1c2cccc1
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:
3.7
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