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Home > Nitro Compounds > 89718-60-5
89718-60-5 | 1H-Inden-1-one, 2,3-dihydro-2-(2-methyl-2-nitropropyl)-
CAS No: 89718-60-5 Catalog No: AG0043VS MDL No:
Product Description
Catalog Number:
AG0043VS
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-(2-methyl-2-nitropropyl)-
CAS Number:
89718-60-5
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
2-(2-methyl-2-nitropropyl)-2,3-dihydroinden-1-one
InChI:
InChI=1S/C13H15NO3/c1-13(2,14(16)17)8-10-7-9-5-3-4-6-11(9)12(10)15/h3-6,10H,7-8H2,1-2H3
InChI Key:
SIBWLMCNCLMZLB-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2c1cccc2)CC([N+](=O)[O-])(C)C
EC Number:
618-293-4
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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