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Home > Nitro Compounds > 77611-67-7
77611-67-7 | 2,3-Dihydro-5,6-dimethoxy-3-methyl-7-nitro-1H-inden-1-one
CAS No: 77611-67-7 Catalog No: AG00GPM8 MDL No:
Product Description
Catalog Number:
AG00GPM8
Chemical Name:
2,3-Dihydro-5,6-dimethoxy-3-methyl-7-nitro-1H-inden-1-one
CAS Number:
77611-67-7
IUPAC Name:
5,6-dimethoxy-3-methyl-7-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H13NO5/c1-6-4-8(14)10-7(6)5-9(17-2)12(18-3)11(10)13(15)16/h5-6H,4H2,1-3H3
InChI Key:
KTQZKIHTMWIGRJ-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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