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100840-50-4 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(4-aminophenoxy)propyl]-
CAS No: 100840-50-4 Catalog No: AG000301 MDL No:
Product Description
Catalog Number:
AG000301
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(4-aminophenoxy)propyl]-
CAS Number:
100840-50-4
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
2-[3-(4-aminophenoxy)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H16N2O3/c18-12-6-8-13(9-7-12)22-11-3-10-19-16(20)14-4-1-2-5-15(14)17(19)21/h1-2,4-9H,3,10-11,18H2
InChI Key:
SGFOGHSPQRYIEQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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