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Home > Nitro Compounds > 1272755-82-4
1272755-82-4 | 1,4-Diazaspiro[4.4]nonan-2-one, 3-(3-nitrophenyl)-
CAS No: 1272755-82-4 Catalog No: AG000WUJ MDL No:MFCD18651739
Product Description
Catalog Number:
AG000WUJ
Chemical Name:
1,4-Diazaspiro[4.4]nonan-2-one, 3-(3-nitrophenyl)-
CAS Number:
1272755-82-4
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
MDL Number:
MFCD18651739
IUPAC Name:
2-(3-nitrophenyl)-1,4-diazaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H15N3O3/c17-12-11(14-13(15-12)6-1-2-7-13)9-4-3-5-10(8-9)16(18)19/h3-5,8,11,14H,1-2,6-7H2,(H,15,17)
InChI Key:
ACBKBQUCKPPXCF-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1cccc(c1)[N+](=O)[O-])CCCC2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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