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Home > Nitro Compounds > 2060056-89-3
2060056-89-3 | 8-(2-nitrophenyl)-6-azaspiro[3.4]octan-5-one
CAS No: 2060056-89-3 Catalog No: AG01BYQO MDL No:MFCD30487314
Product Description
Catalog Number:
AG01BYQO
Chemical Name:
8-(2-nitrophenyl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2060056-89-3
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD30487314
IUPAC Name:
8-(2-nitrophenyl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C13H14N2O3/c16-12-13(6-3-7-13)10(8-14-12)9-4-1-2-5-11(9)15(17)18/h1-2,4-5,10H,3,6-8H2,(H,14,16)
InChI Key:
IFQVFNAPBVHULI-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCC2)c1ccccc1[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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