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Home > Nitro Compounds > 97461-42-2
97461-42-2 | 2-Propenamide, 3-(5-nitro-2-furanyl)-N-pentyl-
CAS No: 97461-42-2 Catalog No: AG00H8XP MDL No:
Product Description
Catalog Number:
AG00H8XP
Chemical Name:
2-Propenamide, 3-(5-nitro-2-furanyl)-N-pentyl-
CAS Number:
97461-42-2
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
(E)-3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide
InChI:
InChI=1S/C12H16N2O4/c1-2-3-4-9-13-11(15)7-5-10-6-8-12(18-10)14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15)/b7-5+
InChI Key:
NGOQMCLLXATBGC-FNORWQNLSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=CC(=O)NCCCCC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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