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713493-55-1 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(4-methyl-2-nitrophenoxy)propyl]-
CAS No: 713493-55-1 Catalog No: AG005J2L MDL No:
Product Description
Catalog Number:
AG005J2L
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(4-methyl-2-nitrophenoxy)propyl]-
CAS Number:
713493-55-1
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
IUPAC Name:
2-[3-(4-methyl-2-nitrophenoxy)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H16N2O5/c1-12-7-8-16(15(11-12)20(23)24)25-10-4-9-19-17(21)13-5-2-3-6-14(13)18(19)22/h2-3,5-8,11H,4,9-10H2,1H3
InChI Key:
QDFYBPGYOIZGII-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OCCCN1C(=O)c2c(C1=O)cccc2
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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