Home Other Building Blocks 2-tert-Butyl-4-methoxy-3H-isoindol-1-one

2-tert-Butyl-4-methoxy-3H-isoindol-1-one

CAS No.:
1820740-27-9
Catalog Number:
AG00I142
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00I142
Chemical Name:
2-tert-Butyl-4-methoxy-3H-isoindol-1-one
CAS Number:
1820740-27-9
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD28127183
IUPAC Name:
2-tert-butyl-4-methoxy-3H-isoindol-1-one
InChI:
InChI=1S/C13H17NO2/c1-13(2,3)14-8-10-9(12(14)15)6-5-7-11(10)16-4/h5-7H,8H2,1-4H3
InChI Key:
AXCOGCLNDYQRNH-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CN(C2=O)C(C)(C)C
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties