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115767-87-8 | 1,3,2-Dioxaphosphorinane, 2-(1-oxopropyl)-, 2-oxide
CAS No: 115767-87-8 Catalog No: AG000GUW MDL No:
Product Description
Catalog Number:
AG000GUW
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-(1-oxopropyl)-, 2-oxide
CAS Number:
115767-87-8
Molecular Formula:
C6H11O4P
Molecular Weight:
178.1229
IUPAC Name:
1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one
InChI:
InChI=1S/C6H11O4P/c1-2-6(7)11(8)9-4-3-5-10-11/h2-5H2,1H3
InChI Key:
WPVHAYMKMWGXOQ-UHFFFAOYSA-N
SMILES:
CCC(=O)P1(=O)OCCCO1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.124g/mol
Monoisotopic Mass:
178.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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