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Home > Other Heterocycles > 41097-27-2
41097-27-2 | 2,6,7-trioxa-1,4-diphosphabicyclo[2.2.2]octane 4-oxide
CAS No: 41097-27-2 Catalog No: AG0073CA MDL No:
Product Description
Catalog Number:
AG0073CA
Chemical Name:
2,6,7-trioxa-1,4-diphosphabicyclo[2.2.2]octane 4-oxide
CAS Number:
41097-27-2
Molecular Formula:
C3H6O4P2
Molecular Weight:
168.0249
IUPAC Name:
2,6,7-trioxa-1,4λ5-diphosphabicyclo[2.2.2]octane 4-oxide
InChI:
InChI=1S/C3H6O4P2/c4-9-1-5-8(6-2-9)7-3-9/h1-3H2
InChI Key:
NBKQGJFTSPNBQA-UHFFFAOYSA-N
SMILES:
O=P12COP(OC1)OC2
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.025g/mol
Monoisotopic Mass:
167.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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