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Home > Nitro Compounds > 101833-02-7
101833-02-7 | 3-Furancarboxamide, 5-nitro-N-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-
CAS No: 101833-02-7 Catalog No: AG0005O4 MDL No:
Product Description
Catalog Number:
AG0005O4
Chemical Name:
3-Furancarboxamide, 5-nitro-N-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-
CAS Number:
101833-02-7
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
IUPAC Name:
N-(5,5-dimethyl-2-oxooxolan-3-yl)-5-nitrofuran-3-carboxamide
InChI:
InChI=1S/C11H12N2O6/c1-11(2)4-7(10(15)19-11)12-9(14)6-3-8(13(16)17)18-5-6/h3,5,7H,4H2,1-2H3,(H,12,14)
InChI Key:
LVFNBLBWBSMCHK-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1NC(=O)c1coc(c1)[N+](=O)[O-])(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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