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Home > Indoles and Oxindole > 138528-16-2
138528-16-2 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2,6-dimethylphenoxy)-1-methylethyl]-
CAS No: 138528-16-2 Catalog No: AG0019DB MDL No:
Product Description
Catalog Number:
AG0019DB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2,6-dimethylphenoxy)-1-methylethyl]-
CAS Number:
138528-16-2
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
IUPAC Name:
2-[1-(2,6-dimethylphenoxy)propan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C19H19NO3/c1-12-7-6-8-13(2)17(12)23-11-14(3)20-18(21)15-9-4-5-10-16(15)19(20)22/h4-10,14H,11H2,1-3H3
InChI Key:
OYVQTKYGNGXONP-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(C1=O)cccc2)COc1c(C)cccc1C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.365g/mol
Monoisotopic Mass:
309.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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