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1005-96-5 | 1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide
CAS No: 1005-96-5 Catalog No: AG00026K MDL No:
Product Description
Catalog Number:
AG00026K
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide
CAS Number:
1005-96-5
Molecular Formula:
C6H13O4P
Molecular Weight:
180.1388
IUPAC Name:
2-methoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C6H13O4P/c1-6(2)4-9-11(7,8-3)10-5-6/h4-5H2,1-3H3
InChI Key:
HHZSLQGPHYVMOQ-UHFFFAOYSA-N
SMILES:
COP1(=O)OCC(CO1)(C)C
NSC Number:
646212
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.14g/mol
Monoisotopic Mass:
180.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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