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610-22-0 | Dimethyl 4-nitrophthalate
CAS No: 610-22-0 Catalog No: AG003PLJ MDL No:MFCD00017191
Product Description
Catalog Number:
AG003PLJ
Chemical Name:
Dimethyl 4-nitrophthalate
CAS Number:
610-22-0
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00017191
IUPAC Name:
dimethyl 4-nitrobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3
InChI Key:
XWBDWELWBUWSNI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1C(=O)OC)[N+](=O)[O-]
EC Number:
210-212-7
NSC Number:
9410
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:
1.4
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