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Home > Nitro Compounds > 25125-04-6
25125-04-6 | 1H-Indene-1,3(2H)-dione, 2-acetyl-4-nitro-
CAS No: 25125-04-6 Catalog No: AG002QJQ MDL No:MFCD00728684
Product Description
Catalog Number:
AG002QJQ
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-acetyl-4-nitro-
CAS Number:
25125-04-6
Molecular Formula:
C11H7NO5
Molecular Weight:
233.1770
MDL Number:
MFCD00728684
IUPAC Name:
2-acetyl-4-nitroindene-1,3-dione
InChI:
InChI=1S/C11H7NO5/c1-5(13)8-10(14)6-3-2-4-7(12(16)17)9(6)11(8)15/h2-4,8H,1H3
InChI Key:
OSZUSQXEYYPINX-UHFFFAOYSA-N
SMILES:
CC(=O)C1C(=O)c2c(C1=O)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.179g/mol
Monoisotopic Mass:
233.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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