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Home > Nitro Compounds > 125629-09-6
125629-09-6 | 2(1H)-Quinoxalinone, 3-(3,4-dihydroxy-5-nitrophenyl)-
CAS No: 125629-09-6 Catalog No: AG000NZM MDL No:
Product Description
Catalog Number:
AG000NZM
Chemical Name:
2(1H)-Quinoxalinone, 3-(3,4-dihydroxy-5-nitrophenyl)-
CAS Number:
125629-09-6
Molecular Formula:
C14H9N3O5
Molecular Weight:
299.2384
IUPAC Name:
3-(3,4-dihydroxy-5-nitrophenyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C14H9N3O5/c18-11-6-7(5-10(13(11)19)17(21)22)12-14(20)16-9-4-2-1-3-8(9)15-12/h1-6,18-19H,(H,16,20)
InChI Key:
YBLPKZOSNMBROT-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1O)[N+](=O)[O-])c1nc2ccccc2[nH]c1=O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.242g/mol
Monoisotopic Mass:
299.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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