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Home > Nitro Compounds > 65201-67-4
65201-67-4 | 2-Propen-1-one, 1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-, (E)-
CAS No: 65201-67-4 Catalog No: AG00H70I MDL No:
Product Description
Catalog Number:
AG00H70I
Chemical Name:
2-Propen-1-one, 1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-, (E)-
CAS Number:
65201-67-4
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C14H11NO4/c1-10-2-4-11(5-3-10)13(16)8-6-12-7-9-14(19-12)15(17)18/h2-9H,1H3
InChI Key:
OLTKPDZDWMVIPP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)/C=C/c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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