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Home > Other Heterocycles > 88491-14-9
88491-14-9 | Bicyclo[2.2.1]heptan-2-one, 3-(methylthio)-
CAS No: 88491-14-9 Catalog No: AG0049QN MDL No:MFCD24704232
Product Description
Catalog Number:
AG0049QN
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-(methylthio)-
CAS Number:
88491-14-9
Molecular Formula:
C8H12OS
Molecular Weight:
156.2453
MDL Number:
MFCD24704232
IUPAC Name:
3-methylsulfanylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C8H12OS/c1-10-8-6-3-2-5(4-6)7(8)9/h5-6,8H,2-4H2,1H3
InChI Key:
LCIUJYAJTMGHDN-UHFFFAOYSA-N
SMILES:
CSC1C2CCC(C1=O)C2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.243g/mol
Monoisotopic Mass:
156.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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