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Also known as: 26646-63-9, 2-[2-(2-methoxyphenoxy)ethyl]isoindole-1,3-dione, 2-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1h-isoindole-1,3-dione, 2-[2-(2-methoxyphenoxy)ethyl]-1h-isoindole-1,3(2h)-dione, 2-(2-(2-methoxyphenoxy)ethyl)-1h-isoindole-1,3(2h)-dione, 2-[2-(2-methoxy-phenoxy)-ethyl]-isoindole-1,3-dione
Molecular Formula
C17H15NO4
Molecular Weight
297.30  g/mol
InChI Key
WRBSZMMWHCAUKD-UHFFFAOYSA-N

CAS 26646-63-9
1 2D Structure

CAS 26646-63-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(2-methoxyphenoxy)ethyl]isoindole-1,3-dione
2.1.2 InChI
InChI=1S/C17H15NO4/c1-21-14-8-4-5-9-15(14)22-11-10-18-16(19)12-6-2-3-7-13(12)17(18)20/h2-9H,10-11H2,1H3
2.1.3 InChI Key
WRBSZMMWHCAUKD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=CC=C1OCCN2C(=O)C3=CC=CC=C3C2=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 26646-63-9

2. 2-[2-(2-methoxyphenoxy)ethyl]isoindole-1,3-dione

3. 2-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1h-isoindole-1,3-dione

4. 2-[2-(2-methoxyphenoxy)ethyl]-1h-isoindole-1,3(2h)-dione

5. 2-(2-(2-methoxyphenoxy)ethyl)-1h-isoindole-1,3(2h)-dione

6. 2-[2-(2-methoxy-phenoxy)-ethyl]-isoindole-1,3-dione

7. Dtxsid601200534

8. Zinc389148

9. 1h-isoindole-1,3(2h)-dione, 2-[2-(2-methoxyphenoxy)ethyl]-

10. Bba64663

11. Stk692357

12. Akos002288822

13. Bs-50289

14. Cs-0349215

15. F77097

2.3 Create Date
2005-09-18
3 Chemical and Physical Properties
Molecular Weight 297.30 g/mol
Molecular Formula C17H15NO4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass297.10010796 g/mol
Monoisotopic Mass297.10010796 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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