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Home > Other Heterocycles > 118467-10-0
118467-10-0 | Spiro[4.4]non-2-en-1-one, 2-(phenylthio)-
CAS No: 118467-10-0 Catalog No: AG0076CL MDL No:
Product Description
Catalog Number:
AG0076CL
Chemical Name:
Spiro[4.4]non-2-en-1-one, 2-(phenylthio)-
CAS Number:
118467-10-0
Molecular Formula:
C15H16OS
Molecular Weight:
244.3519
IUPAC Name:
3-phenylsulfanylspiro[4.4]non-2-en-4-one
InChI:
InChI=1S/C15H16OS/c16-14-13(17-12-6-2-1-3-7-12)8-11-15(14)9-4-5-10-15/h1-3,6-8H,4-5,9-11H2
InChI Key:
DKWQMXZFCQRHLY-UHFFFAOYSA-N
SMILES:
O=C1C(=CCC21CCCC2)Sc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.352g/mol
Monoisotopic Mass:
244.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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