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Home > Nitro Compounds > 951-91-7
951-91-7 | 1-(5-nitrofuran-2-carbonyl)piperidine
CAS No: 951-91-7 Catalog No: AG00IIQL MDL No:MFCD00458972
Product Description
Catalog Number:
AG00IIQL
Chemical Name:
1-(5-nitrofuran-2-carbonyl)piperidine
CAS Number:
951-91-7
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD00458972
IUPAC Name:
(5-nitrofuran-2-yl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C10H12N2O4/c13-10(11-6-2-1-3-7-11)8-4-5-9(16-8)12(14)15/h4-5H,1-3,6-7H2
InChI Key:
ARPKKCPMBWWWIA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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