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Home > Indoles and Oxindole > 7347-70-8
7347-70-8 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(4-methoxyphenyl)-4-oxobutyl]-
CAS No: 7347-70-8 Catalog No: AG005NGE MDL No:
Product Description
Catalog Number:
AG005NGE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(4-methoxyphenyl)-4-oxobutyl]-
CAS Number:
7347-70-8
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
2-[4-(4-methoxyphenyl)-4-oxobutyl]isoindole-1,3-dione
InChI:
InChI=1S/C19H17NO4/c1-24-14-10-8-13(9-11-14)17(21)7-4-12-20-18(22)15-5-2-3-6-16(15)19(20)23/h2-3,5-6,8-11H,4,7,12H2,1H3
InChI Key:
OEHIFFYJKWBKMF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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