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Home > Nitro Compounds > 89720-62-7
89720-62-7 | 2-Propen-1-one, 1-(2-hydroxy-5-nitrophenyl)-3-(2-thienyl)-
CAS No: 89720-62-7 Catalog No: AG0042B5 MDL No:
Product Description
Catalog Number:
AG0042B5
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-5-nitrophenyl)-3-(2-thienyl)-
CAS Number:
89720-62-7
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
IUPAC Name:
1-(2-hydroxy-5-nitrophenyl)-3-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C13H9NO4S/c15-12-5-3-9(14(17)18)8-11(12)13(16)6-4-10-2-1-7-19-10/h1-8,15H
InChI Key:
ZPXKKGSBMJCGFF-UHFFFAOYSA-N
SMILES:
O=C(c1cc(ccc1O)[N+](=O)[O-])C=Cc1cccs1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.278g/mol
Monoisotopic Mass:
275.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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