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20928-05-6 | 2-Dibenzothiophenecarboxylic acid
CAS No: 20928-05-6 Catalog No: AG002K5G MDL No:
Product Description
Catalog Number:
AG002K5G
Chemical Name:
2-Dibenzothiophenecarboxylic acid
CAS Number:
20928-05-6
Molecular Formula:
C13H8O2S
Molecular Weight:
228.2664
IUPAC Name:
dibenzothiophene-2-carboxylic acid
InChI:
InChI=1S/C13H8O2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,14,15)
InChI Key:
FESBZBHBDLEBID-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c1ccccc1s2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.265g/mol
Monoisotopic Mass:
228.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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