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Home > Nitro Compounds > 825611-38-9
825611-38-9 | 4-Pentene-1,3-dione, 1-(2-hydroxyphenyl)-5-(4-nitrophenyl)-, (4E)-
CAS No: 825611-38-9 Catalog No: AG005DXF MDL No:
Product Description
Catalog Number:
AG005DXF
Chemical Name:
4-Pentene-1,3-dione, 1-(2-hydroxyphenyl)-5-(4-nitrophenyl)-, (4E)-
CAS Number:
825611-38-9
Molecular Formula:
C17H13NO5
Molecular Weight:
311.2888
IUPAC Name:
1-(2-hydroxyphenyl)-5-(4-nitrophenyl)pent-4-ene-1,3-dione
InChI:
InChI=1S/C17H13NO5/c19-14(11-17(21)15-3-1-2-4-16(15)20)10-7-12-5-8-13(9-6-12)18(22)23/h1-10,20H,11H2
InChI Key:
PXGGZASADMHZMJ-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.293g/mol
Monoisotopic Mass:
311.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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