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Home > Other Heterocycles > 1194-69-0
1194-69-0 | 7-Thiabicyclo[4.2.0]oct-8-ene, 7,7-dioxide
CAS No: 1194-69-0 Catalog No: AG000IPK MDL No:
Product Description
Catalog Number:
AG000IPK
Chemical Name:
7-Thiabicyclo[4.2.0]oct-8-ene, 7,7-dioxide
CAS Number:
1194-69-0
Molecular Formula:
C7H10O2S
Molecular Weight:
158.2181
IUPAC Name:
7λ6-thiabicyclo[4.2.0]oct-1(8)-ene 7,7-dioxide
InChI:
InChI=1S/C7H10O2S/c8-10(9)5-6-3-1-2-4-7(6)10/h5,7H,1-4H2
InChI Key:
NWKWWMJFZDNLOQ-UHFFFAOYSA-N
SMILES:
O=S1(=O)C=C2C1CCCC2
NSC Number:
116539
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.215g/mol
Monoisotopic Mass:
158.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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