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Home > Indoles and Oxindole > 19348-47-1
19348-47-1 | 1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CAS No: 19348-47-1 Catalog No: AG00732L MDL No:
Product Description
Catalog Number:
AG00732L
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CAS Number:
19348-47-1
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-(4-methoxy-2-methylphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H13NO3/c1-10-9-11(20-2)7-8-14(10)17-15(18)12-5-3-4-6-13(12)16(17)19/h3-9H,1-2H3
InChI Key:
GPWWJUBKRZNKIJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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