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89097-43-8 | Acetic acid, [(2,2-dimethyl-7-nitro-1,3-benzodioxol-4-yl)oxy]-
CAS No: 89097-43-8 Catalog No: AG003YKH MDL No:
Product Description
Catalog Number:
AG003YKH
Chemical Name:
Acetic acid, [(2,2-dimethyl-7-nitro-1,3-benzodioxol-4-yl)oxy]-
CAS Number:
89097-43-8
Molecular Formula:
C11H11NO7
Molecular Weight:
269.2075
IUPAC Name:
2-[(2,2-dimethyl-7-nitro-1,3-benzodioxol-4-yl)oxy]acetic acid
InChI:
InChI=1S/C11H11NO7/c1-11(2)18-9-6(12(15)16)3-4-7(10(9)19-11)17-5-8(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChI Key:
KRIMHLDUYZTEBK-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c2c1OC(O2)(C)C)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.209g/mol
Monoisotopic Mass:
269.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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