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73771-06-9 | 1H-Isoindole-1,3(2H)-dione,2-(1-methyl-2-phenylethoxy)-
CAS No: 73771-06-9 Catalog No: AG005KO6 MDL No:
Product Description
Catalog Number:
AG005KO6
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-(1-methyl-2-phenylethoxy)-
CAS Number:
73771-06-9
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
2-(1-phenylpropan-2-yloxy)isoindole-1,3-dione
InChI:
InChI=1S/C17H15NO3/c1-12(11-13-7-3-2-4-8-13)21-18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3
InChI Key:
QYHWWEYPZIUHQS-UHFFFAOYSA-N
SMILES:
CC(ON1C(=O)c2c(C1=O)cccc2)Cc1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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