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Home > Nitro Compounds > 125482-58-8
125482-58-8 | 1,5-Dioxaspiro[5.5]undecane, 3-nitro-
CAS No: 125482-58-8 Catalog No: AG000NQL MDL No:
Product Description
Catalog Number:
AG000NQL
Chemical Name:
1,5-Dioxaspiro[5.5]undecane, 3-nitro-
CAS Number:
125482-58-8
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
IUPAC Name:
3-nitro-1,5-dioxaspiro[5.5]undecane
InChI:
InChI=1S/C9H15NO4/c11-10(12)8-6-13-9(14-7-8)4-2-1-3-5-9/h8H,1-7H2
InChI Key:
CMWZTDZBIWIWDH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1COC2(OC1)CCCCC2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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