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Home > Nitro Compounds > 20145-06-6
20145-06-6 | 1,3,2-Dioxaphosphorinane, 2-hydroxy-5-methyl-5-nitro-, 2-oxide
CAS No: 20145-06-6 Catalog No: AG002DFL MDL No:
Product Description
Catalog Number:
AG002DFL
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-hydroxy-5-methyl-5-nitro-, 2-oxide
CAS Number:
20145-06-6
Molecular Formula:
C4H8NO6P
Molecular Weight:
197.0832
IUPAC Name:
2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C4H8NO6P/c1-4(5(6)7)2-10-12(8,9)11-3-4/h2-3H2,1H3,(H,8,9)
InChI Key:
BBNWVQWEQDOVJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(C)COP(=O)(OC1)O
NSC Number:
108630
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.083g/mol
Monoisotopic Mass:
197.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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