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Home > Nitro Compounds > 145370-38-3
145370-38-3 | 4H-1-Benzopyran-4-one, 2-(4-methoxy-3-nitrophenyl)-
CAS No: 145370-38-3 Catalog No: AG001KU4 MDL No:
Product Description
Catalog Number:
AG001KU4
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-methoxy-3-nitrophenyl)-
CAS Number:
145370-38-3
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
IUPAC Name:
2-(4-methoxy-3-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C16H11NO5/c1-21-15-7-6-10(8-12(15)17(19)20)16-9-13(18)11-4-2-3-5-14(11)22-16/h2-9H,1H3
InChI Key:
ORMXKJSBAPMYPG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])c1cc(=O)c2c(o1)cccc2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.266g/mol
Monoisotopic Mass:
297.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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