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Home > Nitro Compounds > 89226-87-9
89226-87-9 | 1,4-Naphthalenedione, 2,3-dimethoxy-6-nitro-
CAS No: 89226-87-9 Catalog No: AG0043GF MDL No:
Product Description
Catalog Number:
AG0043GF
Chemical Name:
1,4-Naphthalenedione, 2,3-dimethoxy-6-nitro-
CAS Number:
89226-87-9
Molecular Formula:
C12H9NO6
Molecular Weight:
263.2030
IUPAC Name:
2,3-dimethoxy-6-nitronaphthalene-1,4-dione
InChI:
InChI=1S/C12H9NO6/c1-18-11-9(14)7-4-3-6(13(16)17)5-8(7)10(15)12(11)19-2/h3-5H,1-2H3
InChI Key:
NQRCBRPBIFIJAY-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.205g/mol
Monoisotopic Mass:
263.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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