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Home > Nitro Compounds > 13365-26-9
13365-26-9 | DIMETHYL 3-NITROPHTHALATE
CAS No: 13365-26-9 Catalog No: AG003PLD MDL No:MFCD00017184
Product Description
Catalog Number:
AG003PLD
Chemical Name:
DIMETHYL 3-NITROPHTHALATE
CAS Number:
13365-26-9
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00017184
IUPAC Name:
dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(11(14)15)8(6)10(13)17-2/h3-5H,1-2H3
InChI Key:
MLQMIKSBTAZNBK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C(=O)OC)[N+](=O)[O-]
EC Number:
917-856-4
NSC Number:
68806
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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