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Home > Nitro Compounds > 54186-68-4
54186-68-4 | 2,2-dimethyl-5-nitro-2H-1,3-benzodioxole
CAS No: 54186-68-4 Catalog No: AG01AC4C MDL No:MFCD01463447
Product Description
Catalog Number:
AG01AC4C
Chemical Name:
2,2-dimethyl-5-nitro-2H-1,3-benzodioxole
CAS Number:
54186-68-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD01463447
IUPAC Name:
2,2-dimethyl-5-nitro-1,3-benzodioxole
InChI:
InChI=1S/C9H9NO4/c1-9(2)13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5H,1-2H3
InChI Key:
XCEHELWIDYNWCU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OC(O2)(C)C
NSC Number:
31146
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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