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Home > Nitro Compounds > 3084-13-7
3084-13-7 | 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitro-
CAS No: 3084-13-7 Catalog No: AG0031HM MDL No:
Product Description
Catalog Number:
AG0031HM
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitro-
CAS Number:
3084-13-7
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
IUPAC Name:
2-hydroxy-5-nitrocyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H5NO4/c9-6-3-1-5(8(11)12)2-4-7(6)10/h1-4H,(H,9,10)
InChI Key:
FDKIMQPNTGQYPT-UHFFFAOYSA-N
SMILES:
Oc1ccc(ccc1=O)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Carbonyl(5-nitrotropolonato-kappa2O1,O2)(triphenylphosphine-kappaP)rhodium(I). | Acta crystallographica. Section C, Crystal structure communications 20040701 |
| 5-Cyanotropolone and 5-nitrotropolone. | Acta crystallographica. Section C, Crystal structure communications 20010501 |
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