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Home > Nitro Compounds > 59820-83-6
59820-83-6 | 7-Methyl-6-nitro-1,4-benzodioxane
CAS No: 59820-83-6 Catalog No: AG00F2EZ MDL No:MFCD00100579
Product Description
Catalog Number:
AG00F2EZ
Chemical Name:
7-Methyl-6-nitro-1,4-benzodioxane
CAS Number:
59820-83-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00100579
IUPAC Name:
7-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C9H9NO4/c1-6-4-8-9(14-3-2-13-8)5-7(6)10(11)12/h4-5H,2-3H2,1H3
InChI Key:
IOIVECGQHFGMMC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1C
NSC Number:
162115
Properties
Complexity:
227
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:
1.8
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