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Home > Indoles and Oxindole > 89587-25-7
89587-25-7 | 1H-Isoindole-1,3(2H)-dione, 2-(7-diazo-6-oxoheptyl)-
CAS No: 89587-25-7 Catalog No: AG003XT4 MDL No:
Product Description
Catalog Number:
AG003XT4
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(7-diazo-6-oxoheptyl)-
CAS Number:
89587-25-7
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
IUPAC Name:
2-(7-diazo-6-oxoheptyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H15N3O3/c16-17-10-11(19)6-2-1-5-9-18-14(20)12-7-3-4-8-13(12)15(18)21/h3-4,7-8,10H,1-2,5-6,9H2
InChI Key:
OHSBHQYPEPZHOF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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