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Home > Other Heterocycles > 121861-56-1
121861-56-1 | 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-cyclohexyl-, 1-sulfide
CAS No: 121861-56-1 Catalog No: AG00165V MDL No:
Product Description
Catalog Number:
AG00165V
Chemical Name:
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-cyclohexyl-, 1-sulfide
CAS Number:
121861-56-1
Molecular Formula:
C10H17O3PS
Molecular Weight:
248.2789
IUPAC Name:
4-cyclohexyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
InChI:
InChI=1S/C10H17O3PS/c15-14-11-6-10(7-12-14,8-13-14)9-4-2-1-3-5-9/h9H,1-8H2
InChI Key:
MYCVOGHVJRJECA-UHFFFAOYSA-N
SMILES:
S=P12OCC(CO1)(CO2)C1CCCCC1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.277g/mol
Monoisotopic Mass:
248.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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