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Home > Indoles and Oxindole > 84461-00-7
84461-00-7 | 1H-Isoindole-1,3(2H)-dione, 2-(5-diazo-4-oxopentyl)-
CAS No: 84461-00-7 Catalog No: AG00550W MDL No:
Product Description
Catalog Number:
AG00550W
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(5-diazo-4-oxopentyl)-
CAS Number:
84461-00-7
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
2-(5-diazo-4-oxopentyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O3/c14-15-8-9(17)4-3-7-16-12(18)10-5-1-2-6-11(10)13(16)19/h1-2,5-6,8H,3-4,7H2
InChI Key:
NRJBMDKQGZKIEY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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