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1186519-55-0 |
CAS No: 1186519-55-0 Catalog No: AG01FMQ6 MDL No:
Product Description
Catalog Number:
AG01FMQ6
CAS Number:
1186519-55-0
IUPAC Name:
1,1-dioxo-1-benzothiophene-6-carbonitrile
InChI:
InChI=1S/C9H5NO2S/c10-6-7-1-2-8-3-4-13(11,12)9(8)5-7/h1-5H
InChI Key:
PKGGSEDEPNZRTF-UHFFFAOYSA-N
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.204g/mol
Monoisotopic Mass:
191.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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