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Home > Indoles and Oxindole > 667433-79-6
667433-79-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(3-methoxyphenyl)-2-oxoethyl]-
CAS No: 667433-79-6 Catalog No: AG00H6SJ MDL No:
Product Description
Catalog Number:
AG00H6SJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(3-methoxyphenyl)-2-oxoethyl]-
CAS Number:
667433-79-6
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
IUPAC Name:
2-[2-(3-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H13NO4/c1-22-12-6-4-5-11(9-12)15(19)10-18-16(20)13-7-2-3-8-14(13)17(18)21/h2-9H,10H2,1H3
InChI Key:
UEIJXISANQANIN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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