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57052-99-0 | Dimethyl 2-nitroisophthalate
CAS No: 57052-99-0 Catalog No: AG003PL7 MDL No:MFCD18651700
Product Description
Catalog Number:
AG003PL7
Chemical Name:
Dimethyl 2-nitroisophthalate
CAS Number:
57052-99-0
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD18651700
IUPAC Name:
dimethyl 2-nitrobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(10(13)17-2)8(6)11(14)15/h3-5H,1-2H3
InChI Key:
UZMFVOACDBUXRK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
299
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:
1.4
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