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Home > Nitro Compounds > 101384-03-6
101384-03-6 | Ethanone, 1-[4-(1-methyl-1-nitroethyl)-2-furanyl]-
CAS No: 101384-03-6 Catalog No: AG0004CQ MDL No:
Product Description
Catalog Number:
AG0004CQ
Chemical Name:
Ethanone, 1-[4-(1-methyl-1-nitroethyl)-2-furanyl]-
CAS Number:
101384-03-6
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1-[4-(2-nitropropan-2-yl)furan-2-yl]ethanone
InChI:
InChI=1S/C9H11NO4/c1-6(11)8-4-7(5-14-8)9(2,3)10(12)13/h4-5H,1-3H3
InChI Key:
SVHFKWCBHKLMGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(c1coc(c1)C(=O)C)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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