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Home > Nitro Compounds > 89084-73-1
89084-73-1 | 1,3-Benzodioxol-4-ol, 2,2-dimethyl-5-nitro-
CAS No: 89084-73-1 Catalog No: AG003ZOS MDL No:
Product Description
Catalog Number:
AG003ZOS
Chemical Name:
1,3-Benzodioxol-4-ol, 2,2-dimethyl-5-nitro-
CAS Number:
89084-73-1
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
2,2-dimethyl-5-nitro-1,3-benzodioxol-4-ol
InChI:
InChI=1S/C9H9NO5/c1-9(2)14-6-4-3-5(10(12)13)7(11)8(6)15-9/h3-4,11H,1-2H3
InChI Key:
BIIXZSWHOVOZDA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1O)OC(O2)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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