Home Carboxys methyl 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylate

methyl 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylate

CAS No.:
60652-05-3
Catalog Number:
AG01BV2I
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
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Product Description
Catalog Number:
AG01BV2I
Chemical Name:
methyl 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylate
CAS Number:
60652-05-3
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD27952673
IUPAC Name:
methyl 2-benzyl-3-oxo-1H-isoindole-1-carboxylate
InChI:
InChI=1S/C17H15NO3/c1-21-17(20)15-13-9-5-6-10-14(13)16(19)18(15)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChI Key:
VESWDADWCCQTAU-UHFFFAOYSA-N
SMILES:
COC(=O)C1N(Cc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
403  
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:
2.6  
Properties