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Home > Nitro Compounds > 20145-07-7
20145-07-7 | 1,3,2-Dioxaphosphorinane, 2-ethoxy-5-methyl-5-nitro-, 2-oxide
CAS No: 20145-07-7 Catalog No: AG002DFK MDL No:
Product Description
Catalog Number:
AG002DFK
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-ethoxy-5-methyl-5-nitro-, 2-oxide
CAS Number:
20145-07-7
Molecular Formula:
C6H12NO6P
Molecular Weight:
225.1363
IUPAC Name:
2-ethoxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C6H12NO6P/c1-3-11-14(10)12-4-6(2,5-13-14)7(8)9/h3-5H2,1-2H3
InChI Key:
WBCQZHXCGPLXJS-UHFFFAOYSA-N
SMILES:
CCOP1(=O)OCC(CO1)(C)[N+](=O)[O-]
NSC Number:
94246
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.137g/mol
Monoisotopic Mass:
225.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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