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Home > Indoles and Oxindole > 87780-28-7
87780-28-7 | 2-[2-(2,6-dimethoxyphenoxy)ethyl]isoindole-1,3-dione
CAS No: 87780-28-7 Catalog No: AG004KYQ MDL No:
Product Description
Catalog Number:
AG004KYQ
Chemical Name:
2-[2-(2,6-dimethoxyphenoxy)ethyl]isoindole-1,3-dione
CAS Number:
87780-28-7
Molecular Formula:
C18H17NO5
Molecular Weight:
327.3313
IUPAC Name:
2-[2-(2,6-dimethoxyphenoxy)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H17NO5/c1-22-14-8-5-9-15(23-2)16(14)24-11-10-19-17(20)12-6-3-4-7-13(12)18(19)21/h3-9H,10-11H2,1-2H3
InChI Key:
SOAGXBAFBFLZQA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OCCN1C(=O)c2c(C1=O)cccc2)OC
NSC Number:
294389
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.336g/mol
Monoisotopic Mass:
327.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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