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Home > Nitro Compounds > 1217610-45-1
1217610-45-1 | 6-{bicyclo[2.2.1]hept-5-en-2-yl}-5-nitropiperidin-2-one
CAS No: 1217610-45-1 Catalog No: AG01BAD2 MDL No:MFCD13806969
Product Description
Catalog Number:
AG01BAD2
Chemical Name:
6-{bicyclo[2.2.1]hept-5-en-2-yl}-5-nitropiperidin-2-one
CAS Number:
1217610-45-1
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD13806969
IUPAC Name:
6-(2-bicyclo[2.2.1]hept-5-enyl)-5-nitropiperidin-2-one
InChI:
InChI=1S/C12H16N2O3/c15-11-4-3-10(14(16)17)12(13-11)9-6-7-1-2-8(9)5-7/h1-2,7-10,12H,3-6H2,(H,13,15)
InChI Key:
MURDSWGYWHGJMH-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)C1CC2CC1C=C2)[N+](=O)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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