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2300-16-5 | 1,2-Benzenedicarboxylic acid, 3,6-dinitro-
CAS No: 2300-16-5 Catalog No: AG002LTK MDL No:
Product Description
Catalog Number:
AG002LTK
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,6-dinitro-
CAS Number:
2300-16-5
Molecular Formula:
C8H4N2O8
Molecular Weight:
256.1260
IUPAC Name:
3,6-dinitrophthalic acid
InChI:
InChI=1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
MZDSOZBFTCRKNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C(=O)O)c(ccc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
218-950-1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.126g/mol
Monoisotopic Mass:
255.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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