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Home > Nitro Compounds > 1272755-97-1
1272755-97-1 | 5,8-Diazaspiro[3.4]octan-6-one, 7-(3-nitrophenyl)-
CAS No: 1272755-97-1 Catalog No: AG000WU4 MDL No:MFCD18651749
Product Description
Catalog Number:
AG000WU4
Chemical Name:
5,8-Diazaspiro[3.4]octan-6-one, 7-(3-nitrophenyl)-
CAS Number:
1272755-97-1
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD18651749
IUPAC Name:
6-(3-nitrophenyl)-5,8-diazaspiro[3.4]octan-7-one
InChI:
InChI=1S/C12H13N3O3/c16-11-10(13-12(14-11)5-2-6-12)8-3-1-4-9(7-8)15(17)18/h1,3-4,7,10,13H,2,5-6H2,(H,14,16)
InChI Key:
JXISYQMKVPPPJF-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1cccc(c1)[N+](=O)[O-])CCC2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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