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Home > Indoles and Oxindole > 72552-98-8
72552-98-8 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(acetyloxy)ethyl]-5-nitro-
CAS No: 72552-98-8 Catalog No: AG005R3Z MDL No:
Product Description
Catalog Number:
AG005R3Z
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(acetyloxy)ethyl]-5-nitro-
CAS Number:
72552-98-8
Molecular Formula:
C12H10N2O6
Molecular Weight:
278.2176
IUPAC Name:
2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl acetate
InChI:
InChI=1S/C12H10N2O6/c1-7(15)20-5-4-13-11(16)9-3-2-8(14(18)19)6-10(9)12(13)17/h2-3,6H,4-5H2,1H3
InChI Key:
SWPURVOSXQNNLH-UHFFFAOYSA-N
SMILES:
CC(=O)OCCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.22g/mol
Monoisotopic Mass:
278.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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