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Home > Indoles and Oxindole > 7504-49-6
7504-49-6 | [4-(1,3-dioxoisoindol-2-yl)-2-oxo-butylidene]-imino-azanium
CAS No: 7504-49-6 Catalog No: AG0057AW MDL No:
Product Description
Catalog Number:
AG0057AW
Chemical Name:
[4-(1,3-dioxoisoindol-2-yl)-2-oxo-butylidene]-imino-azanium
CAS Number:
7504-49-6
Molecular Formula:
C12H10N3O3+
Molecular Weight:
244.2261
IUPAC Name:
2-(4-diazo-3-oxobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H9N3O3/c13-14-7-8(16)5-6-15-11(17)9-3-1-2-4-10(9)12(15)18/h1-4,7H,5-6H2
InChI Key:
GHGVDCYDUFUJIN-UHFFFAOYSA-N
SMILES:
N=[N+]=CC(=O)CCN1C(=O)c2c(C1=O)cccc2
NSC Number:
401066
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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