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Home > Nitro Compounds > 20133-66-8
20133-66-8 | 1,3,2-Dioxaphosphorinane, 5-ethyl-2-hydroxy-5-nitro-, 2-oxide, sodium salt (1:1)
CAS No: 20133-66-8 Catalog No: AG002DCQ MDL No:
Product Description
Catalog Number:
AG002DCQ
Chemical Name:
1,3,2-Dioxaphosphorinane, 5-ethyl-2-hydroxy-5-nitro-, 2-oxide, sodium salt (1:1)
CAS Number:
20133-66-8
Molecular Formula:
C5H10NNaO6P
Molecular Weight:
234.0995
IUPAC Name:
5-ethyl-2-hydroxy-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C5H10NO6P/c1-2-5(6(7)8)3-11-13(9,10)12-4-5/h2-4H2,1H3,(H,9,10)
InChI Key:
QJEKCOUUPXSTBA-UHFFFAOYSA-N
SMILES:
CCC1(COP(=O)(OC1)O)[N+](=O)[O-].[Na]
NSC Number:
108631
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.11g/mol
Monoisotopic Mass:
211.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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