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Home > Nitro Compounds > 72979-21-6
72979-21-6 | 2,7-dinitro-4,9-dioxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene
CAS No: 72979-21-6 Catalog No: AG00FPP4 MDL No:
Product Description
Catalog Number:
AG00FPP4
Chemical Name:
2,7-dinitro-4,9-dioxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene
CAS Number:
72979-21-6
IUPAC Name:
2,9-dihydroxy-6,13-dinitro-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
InChI:
InChI=1S/C14H6N4O8/c19-13-7-1-5(17(23)24)3-9-11(7)12-8(14(20)16(9)22)2-6(18(25)26)4-10(12)15(13)21/h1-4,21-22H
InChI Key:
JDVYKYNWSNDVDI-UHFFFAOYSA-N
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.019g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.222g/mol
Monoisotopic Mass:
358.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A homology model for rat mu class glutathione S-transferase 4-4. | Chemical research in toxicology 19960101 |
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