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Home > Nitro Compounds > 856015-71-9
856015-71-9 | 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-nitrophenyl)-
CAS No: 856015-71-9 Catalog No: AG005142 MDL No:
Product Description
Catalog Number:
AG005142
Chemical Name:
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-nitrophenyl)-
CAS Number:
856015-71-9
Molecular Formula:
C16H11NO6
Molecular Weight:
313.2616
IUPAC Name:
5-hydroxy-7-methoxy-3-(4-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C16H11NO6/c1-22-11-6-13(18)15-14(7-11)23-8-12(16(15)19)9-2-4-10(5-3-9)17(20)21/h2-8,18H,1H3
InChI Key:
PEEOIEYZYGKGAG-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.265g/mol
Monoisotopic Mass:
313.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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