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Home > Nitro Compounds > 263545-80-8
263545-80-8 | 4H-1-Benzopyran-4-one, 6,8-dimethyl-3-[2-(4-nitrophenyl)ethenyl]-
CAS No: 263545-80-8 Catalog No: AG002SV6 MDL No:
Product Description
Catalog Number:
AG002SV6
Chemical Name:
4H-1-Benzopyran-4-one, 6,8-dimethyl-3-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
263545-80-8
Molecular Formula:
C19H15NO4
Molecular Weight:
321.3267
IUPAC Name:
6,8-dimethyl-3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
InChI:
InChI=1S/C19H15NO4/c1-12-9-13(2)19-17(10-12)18(21)15(11-24-19)6-3-14-4-7-16(8-5-14)20(22)23/h3-11H,1-2H3
InChI Key:
SSLPPRAAZGHRTL-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(=O)c(co2)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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