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20926-55-0 | Phosphonic acid, piperidino-, cyclic 2-methyl-2-nitrotrimethylene ester (8CI)
CAS No: 20926-55-0 Catalog No: AG002K4U MDL No:
Product Description
Catalog Number:
AG002K4U
Chemical Name:
Phosphonic acid, piperidino-, cyclic 2-methyl-2-nitrotrimethylene ester (8CI)
CAS Number:
20926-55-0
Molecular Formula:
C9H17N2O5P
Molecular Weight:
264.2154
IUPAC Name:
5-methyl-5-nitro-2-piperidin-1-yl-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C9H17N2O5P/c1-9(11(12)13)7-15-17(14,16-8-9)10-5-3-2-4-6-10/h2-8H2,1H3
InChI Key:
REJUZDSTUNNRAN-UHFFFAOYSA-N
SMILES:
CC1(COP(=O)(OC1)N1CCCCC1)[N+](=O)[O-]
NSC Number:
94247
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.218g/mol
Monoisotopic Mass:
264.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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