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Home > Nitro Compounds > 856806-20-7
856806-20-7 | Dimethyl 4-methoxy-5-nitrophthalate
CAS No: 856806-20-7 Catalog No: AG004T59 MDL No:MFCD21099582
Product Description
Catalog Number:
AG004T59
Chemical Name:
Dimethyl 4-methoxy-5-nitrophthalate
CAS Number:
856806-20-7
Molecular Formula:
C11H11NO7
Molecular Weight:
269.2075
MDL Number:
MFCD21099582
IUPAC Name:
dimethyl 4-methoxy-5-nitrobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C11H11NO7/c1-17-9-5-7(11(14)19-3)6(10(13)18-2)4-8(9)12(15)16/h4-5H,1-3H3
InChI Key:
ZGASGVVPYSDBEA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(cc1C(=O)OC)OC
Properties
Complexity:
365
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:
0
Isotope Atom Count:
0
Molecular Weight:
269.209g/mol
Monoisotopic Mass:
269.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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