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Home > Nitro Compounds > 1854943-73-9
1854943-73-9 | 3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CAS No: 1854943-73-9 Catalog No: AG00I1K3 MDL No:
Product Description
Catalog Number:
AG00I1K3
Chemical Name:
3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CAS Number:
1854943-73-9
Molecular Formula:
C17H25N3O3
Molecular Weight:
319.3987
IUPAC Name:
3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
InChI:
InChI=1S/C17H25N3O3/c1-18-9-5-17(6-10-18)7-11-19(12-8-17)14-3-4-15(20(21)22)16(13-14)23-2/h3-4,13H,5-12H2,1-2H3
InChI Key:
FEPWQTGPHXVXRC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC2(CC1)CCN(CC2)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.405g/mol
Monoisotopic Mass:
319.19g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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