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848589-70-8

848589-70-8 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(3-methyl-2-nitrophenoxy)propyl]-

CAS No: 848589-70-8 Catalog No: AG004MMJ MDL No:

Product Description

Catalog Number:
AG004MMJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(3-methyl-2-nitrophenoxy)propyl]-
CAS Number:
848589-70-8
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
IUPAC Name:
2-[3-(3-methyl-2-nitrophenoxy)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H16N2O5/c1-12-6-4-9-15(16(12)20(23)24)25-11-5-10-19-17(21)13-7-2-3-8-14(13)18(19)22/h2-4,6-9H,5,10-11H2,1H3
InChI Key:
IFBGCDULLPRQRQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(OCCCN2C(=O)c3c(C2=O)cccc3)cccc1C

Properties

Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.106g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.335g/mol
Monoisotopic Mass:
340.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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