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Home > Nitro Compounds > 23222-86-8
23222-86-8 | 1-Propanone, 2,2-dimethyl-1-(5-nitro-2-furanyl)-
CAS No: 23222-86-8 Catalog No: AG002ML3 MDL No:
Product Description
Catalog Number:
AG002ML3
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(5-nitro-2-furanyl)-
CAS Number:
23222-86-8
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
2,2-dimethyl-1-(5-nitrofuran-2-yl)propan-1-one
InChI:
InChI=1S/C9H11NO4/c1-9(2,3)8(11)6-4-5-7(14-6)10(12)13/h4-5H,1-3H3
InChI Key:
KKFYIMJCIYOQCY-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
251
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:
2.6
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