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Home > Other Heterocycles > 850166-08-4
850166-08-4 | 3-Phosphabicyclo[3.1.0]hexane, 3-(phenylmethoxy)-, 3-oxide
CAS No: 850166-08-4 Catalog No: AG004Q05 MDL No:
Product Description
Catalog Number:
AG004Q05
Chemical Name:
3-Phosphabicyclo[3.1.0]hexane, 3-(phenylmethoxy)-, 3-oxide
CAS Number:
850166-08-4
Molecular Formula:
C12H15O2P
Molecular Weight:
222.2201
IUPAC Name:
3-phenylmethoxy-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide
InChI:
InChI=1S/C12H15O2P/c13-15(8-11-6-12(11)9-15)14-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChI Key:
KMVMFVLSZAZGGT-UHFFFAOYSA-N
SMILES:
O=P1(OCc2ccccc2)CC2C(C1)C2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.224g/mol
Monoisotopic Mass:
222.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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