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Home > Nitro Compounds > 2060024-92-0
2060024-92-0 | 8-(3-nitrophenyl)-6-azaspiro[3.4]octan-5-one
CAS No: 2060024-92-0 Catalog No: AG01BYQH MDL No:MFCD30487307
Product Description
Catalog Number:
AG01BYQH
Chemical Name:
8-(3-nitrophenyl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2060024-92-0
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD30487307
IUPAC Name:
8-(3-nitrophenyl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C13H14N2O3/c16-12-13(5-2-6-13)11(8-14-12)9-3-1-4-10(7-9)15(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,14,16)
InChI Key:
PRYKSGUJDGIQTQ-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCC2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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