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13896-83-8 | Cyclopentanone, 2-(2-quinolinylthio)-
CAS No: 13896-83-8 Catalog No: AG0019XN MDL No:
Product Description
Catalog Number:
AG0019XN
Chemical Name:
Cyclopentanone, 2-(2-quinolinylthio)-
CAS Number:
13896-83-8
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
2-quinolin-2-ylsulfanylcyclopentan-1-one
InChI:
InChI=1S/C14H13NOS/c16-12-6-3-7-13(12)17-14-9-8-10-4-1-2-5-11(10)15-14/h1-2,4-5,8-9,13H,3,6-7H2
InChI Key:
PEUZUBQRDPWQMX-UHFFFAOYSA-N
SMILES:
O=C1CCCC1Sc1ccc2c(n1)cccc2
NSC Number:
98875
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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