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Home > Nitro Compounds > 842137-45-5
842137-45-5 | 4H-1,3-Benzodioxin-4-one, 2,2-dimethyl-6-nitro-
CAS No: 842137-45-5 Catalog No: AG004RWH MDL No:
Product Description
Catalog Number:
AG004RWH
Chemical Name:
4H-1,3-Benzodioxin-4-one, 2,2-dimethyl-6-nitro-
CAS Number:
842137-45-5
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
IUPAC Name:
2,2-dimethyl-6-nitro-1,3-benzodioxin-4-one
InChI:
InChI=1S/C10H9NO5/c1-10(2)15-8-4-3-6(11(13)14)5-7(8)9(12)16-10/h3-5H,1-2H3
InChI Key:
BNQYKJNRIMDSEN-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)Oc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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