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Home > Other Heterocycles > 37918-35-7
37918-35-7 | 9-Thiabicyclo[3.3.1]nonane-2,6-dione
CAS No: 37918-35-7 Catalog No: AG00779P MDL No:
Product Description
Catalog Number:
AG00779P
Chemical Name:
9-Thiabicyclo[3.3.1]nonane-2,6-dione
CAS Number:
37918-35-7
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
IUPAC Name:
9-thiabicyclo[3.3.1]nonane-2,6-dione
InChI:
InChI=1S/C8H10O2S/c9-5-1-3-7-6(10)2-4-8(5)11-7/h7-8H,1-4H2
InChI Key:
ZFSYGTMUGOONON-UHFFFAOYSA-N
SMILES:
O=C1CCC2SC1CCC2=O
NSC Number:
697943
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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