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87884-63-7 | 2(5H)-Thiophenone, 5-(3-oxocyclohexyl)-
CAS No: 87884-63-7 Catalog No: AG004FXC MDL No:
Product Description
Catalog Number:
AG004FXC
Chemical Name:
2(5H)-Thiophenone, 5-(3-oxocyclohexyl)-
CAS Number:
87884-63-7
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
2-(3-oxocyclohexyl)-2H-thiophen-5-one
InChI:
InChI=1S/C10H12O2S/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h4-5,7,9H,1-3,6H2
InChI Key:
XFYOSEDHYWIWPE-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)C1C=CC(=O)S1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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