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Home > Nitro Compounds > 20133-58-8
20133-58-8 | 1,3-Propanediol, 2-methyl-2-nitro-, cyclic hydrogen phosphate, compd. with piperidine (1:1) (8CI)
CAS No: 20133-58-8 Catalog No: AG002DBL MDL No:
Product Description
Catalog Number:
AG002DBL
Chemical Name:
1,3-Propanediol, 2-methyl-2-nitro-, cyclic hydrogen phosphate, compd. with piperidine (1:1) (8CI)
CAS Number:
20133-58-8
Molecular Formula:
C9H19N2O6P
Molecular Weight:
282.2307
IUPAC Name:
2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide;piperidine
InChI:
InChI=1S/C5H11N.C4H8NO6P/c1-2-4-6-5-3-1;1-4(5(6)7)2-10-12(8,9)11-3-4/h6H,1-5H2;2-3H2,1H3,(H,8,9)
InChI Key:
LRCGGYVIELZZFQ-UHFFFAOYSA-N
SMILES:
C1CCCNC1.[O-][N+](=O)C1(C)COP(=O)(OC1)O
NSC Number:
110685
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.233g/mol
Monoisotopic Mass:
282.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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