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1346672-68-1

1346672-68-1 |

CAS No: 1346672-68-1 Catalog No: AG01FMWP MDL No:

Product Description

Catalog Number:
AG01FMWP
CAS Number:
1346672-68-1
IUPAC Name:
10,10-dimethyl-7-thiatricyclo[6.3.0.02,6]undeca-1(8),2(6)-dien-5-one
InChI:
InChI=1S/C12H14OS/c1-12(2)5-8-7-3-4-9(13)11(7)14-10(8)6-12/h3-6H2,1-2H3
InChI Key:
PWWBNXXNEUXNKW-UHFFFAOYSA-N

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.303g/mol
Monoisotopic Mass:
206.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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