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Home > Nitro Compounds > 80960-26-5
80960-26-5 | 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-
CAS No: 80960-26-5 Catalog No: AG005HUY MDL No:
Product Description
Catalog Number:
AG005HUY
Chemical Name:
1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-
CAS Number:
80960-26-5
Molecular Formula:
C9H5NO6
Molecular Weight:
223.1391
IUPAC Name:
2,2-dihydroxy-4-nitroindene-1,3-dione
InChI:
InChI=1S/C9H5NO6/c11-7-4-2-1-3-5(10(15)16)6(4)8(12)9(7,13)14/h1-3,13-14H
InChI Key:
KWUIGWLZVAPWQV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1C(=O)C(C2=O)(O)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.14g/mol
Monoisotopic Mass:
223.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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