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Home > Other Heterocycles > 918647-71-9
918647-71-9 | 7-Oxabicyclo[4.1.0]heptane, 3-[2-(butylthio)ethyl]-
CAS No: 918647-71-9 Catalog No: AG006O7V MDL No:
Product Description
Catalog Number:
AG006O7V
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 3-[2-(butylthio)ethyl]-
CAS Number:
918647-71-9
Molecular Formula:
C12H22OS
Molecular Weight:
214.3675
IUPAC Name:
3-(2-butylsulfanylethyl)-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C12H22OS/c1-2-3-7-14-8-6-10-4-5-11-12(9-10)13-11/h10-12H,2-9H2,1H3
InChI Key:
LJFSEWPRGWRRFS-UHFFFAOYSA-N
SMILES:
CCCCSCCC1CCC2C(C1)O2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.139g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.367g/mol
Monoisotopic Mass:
214.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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