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Home > Nitro Compounds > 144006-46-2
144006-46-2 | 4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(4-nitrophenyl)-
CAS No: 144006-46-2 Catalog No: AG001IRJ MDL No:
Product Description
Catalog Number:
AG001IRJ
Chemical Name:
4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(4-nitrophenyl)-
CAS Number:
144006-46-2
Molecular Formula:
C15H9NO6
Molecular Weight:
299.2351
IUPAC Name:
6,7-dihydroxy-2-(4-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C15H9NO6/c17-11-6-14(8-1-3-9(4-2-8)16(20)21)22-15-7-13(19)12(18)5-10(11)15/h1-7,18-19H
InChI Key:
DXOROZXTSJLKSB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2)O)O
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.238g/mol
Monoisotopic Mass:
299.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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