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Home > Indoles and Oxindole > 113201-27-7
113201-27-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(3,4-dimethylphenyl)methoxy]-
CAS No: 113201-27-7 Catalog No: AG007APG MDL No:
Product Description
Catalog Number:
AG007APG
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3,4-dimethylphenyl)methoxy]-
CAS Number:
113201-27-7
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C17H15NO3/c1-11-7-8-13(9-12(11)2)10-21-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3
InChI Key:
HRNOSNVSLSSUGX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)CON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
398
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:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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