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1007455-12-0

1007455-12-0 | 2-Benzyl-5-Methoxyisoindoline-1,3-Dione

CAS No: 1007455-12-0 Catalog No: AG00H9B9 MDL No:MFCD20482371

Product Description

Catalog Number:
AG00H9B9
Chemical Name:
2-Benzyl-5-Methoxyisoindoline-1,3-Dione
CAS Number:
1007455-12-0
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD20482371
IUPAC Name:
2-benzyl-5-methoxyisoindole-1,3-dione
InChI:
InChI=1S/C16H13NO3/c1-20-12-7-8-13-14(9-12)16(19)17(15(13)18)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
RQVOHZWHQWDVNU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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