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920300-06-7

920300-06-7 | 1H-Isoindol-1-one, 2,3-dihydro-3-(2-phenyl-2-propen-1-yl)-

CAS No: 920300-06-7 Catalog No: AG006EPX MDL No:

Product Description

Catalog Number:
AG006EPX
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-(2-phenyl-2-propen-1-yl)-
CAS Number:
920300-06-7
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
3-(2-phenylprop-2-enyl)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C17H15NO/c1-12(13-7-3-2-4-8-13)11-16-14-9-5-6-10-15(14)17(19)18-16/h2-10,16H,1,11H2,(H,18,19)
InChI Key:
OBBNBNLGRRHJPS-UHFFFAOYSA-N
SMILES:
C=C(c1ccccc1)CC1NC(=O)c2c1cccc2

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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