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Home > Nitro Compounds > 113781-22-9
113781-22-9 | 1H-Inden-1-one, 2,3-dihydro-2-methyl-2-(nitrooxy)-
CAS No: 113781-22-9 Catalog No: AG0009OC MDL No:
Product Description
Catalog Number:
AG0009OC
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-methyl-2-(nitrooxy)-
CAS Number:
113781-22-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
(2-methyl-3-oxo-1H-inden-2-yl) nitrate
InChI:
InChI=1S/C10H9NO4/c1-10(15-11(13)14)6-7-4-2-3-5-8(7)9(10)12/h2-5H,6H2,1H3
InChI Key:
ARKOUSCOQPFJTF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OC1(C)Cc2c(C1=O)cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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