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Home > Indoles and Oxindole > 89024-41-9
89024-41-9 | 1H-Isoindole-1,3(2H)-dione, 2-ethenyl-5-nitro-
CAS No: 89024-41-9 Catalog No: AG0044CA MDL No:
Product Description
Catalog Number:
AG0044CA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-ethenyl-5-nitro-
CAS Number:
89024-41-9
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
2-ethenyl-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C10H6N2O4/c1-2-11-9(13)7-4-3-6(12(15)16)5-8(7)10(11)14/h2-5H,1H2
InChI Key:
WTABUBJASCCHRC-UHFFFAOYSA-N
SMILES:
C=CN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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