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69048-70-0 | DIMETHYL 4-NITROISOPHTHALATE
CAS No: 69048-70-0 Catalog No: AG003PLI MDL No:MFCD00177948
Product Description
Catalog Number:
AG003PLI
Chemical Name:
DIMETHYL 4-NITROISOPHTHALATE
CAS Number:
69048-70-0
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00177948
IUPAC Name:
dimethyl 4-nitrobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-8(11(14)15)7(5-6)10(13)17-2/h3-5H,1-2H3
InChI Key:
IFGRLSNABSJUIU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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