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Home > Nitro Compounds > 138349-97-0
138349-97-0 | 2H-Inden-2-one, 1,3-dihydro-1,1,3,3-tetramethyl-5-nitro-
CAS No: 138349-97-0 Catalog No: AG0018M2 MDL No:
Product Description
Catalog Number:
AG0018M2
Chemical Name:
2H-Inden-2-one, 1,3-dihydro-1,1,3,3-tetramethyl-5-nitro-
CAS Number:
138349-97-0
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
1,1,3,3-tetramethyl-5-nitroinden-2-one
InChI:
InChI=1S/C13H15NO3/c1-12(2)9-6-5-8(14(16)17)7-10(9)13(3,4)11(12)15/h5-7H,1-4H3
InChI Key:
YXYUGIUHZFDOKE-UHFFFAOYSA-N
SMILES:
O=C1C(C)(C)c2c(C1(C)C)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
367
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:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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