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Home > Nitro Compounds > 182119-07-9
182119-07-9 | 2-Propen-1-one, 1-(4-ethoxy-2-hydroxy-5-nitrophenyl)-3-(2-furanyl)-
CAS No: 182119-07-9 Catalog No: AG0023DJ MDL No:
Product Description
Catalog Number:
AG0023DJ
Chemical Name:
2-Propen-1-one, 1-(4-ethoxy-2-hydroxy-5-nitrophenyl)-3-(2-furanyl)-
CAS Number:
182119-07-9
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
1-(4-ethoxy-2-hydroxy-5-nitrophenyl)-3-(furan-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C15H13NO6/c1-2-21-15-9-14(18)11(8-12(15)16(19)20)13(17)6-5-10-4-3-7-22-10/h3-9,18H,2H2,1H3
InChI Key:
WLKCGKMQKNILLZ-UHFFFAOYSA-N
SMILES:
CCOc1cc(O)c(cc1[N+](=O)[O-])C(=O)C=Cc1ccco1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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