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Home > Nitro Compounds > 73183-80-9
73183-80-9 | 1H-Inden-5-ol,2,3-dihydro-1,1,3,3-tetramethyl-6-nitro-
CAS No: 73183-80-9 Catalog No: AG005Q9V MDL No:
Product Description
Catalog Number:
AG005Q9V
Chemical Name:
1H-Inden-5-ol,2,3-dihydro-1,1,3,3-tetramethyl-6-nitro-
CAS Number:
73183-80-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
1,1,3,3-tetramethyl-6-nitro-2H-inden-5-ol
InChI:
InChI=1S/C13H17NO3/c1-12(2)7-13(3,4)9-6-11(15)10(14(16)17)5-8(9)12/h5-6,15H,7H2,1-4H3
InChI Key:
IFMWQOBINNJAKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(cc1O)C(CC2(C)C)(C)C
EC Number:
277-312-0
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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