Home Carboxys 6,7-Dimethoxy-3,4-1h-isoquinoline-1-dicarboxylic acid 2-tert-butyl ester

6,7-Dimethoxy-3,4-1h-isoquinoline-1-dicarboxylic acid 2-tert-butyl ester

CAS No.:
738629-59-9
Catalog Number:
AG005J9O
Molecular Formula:
C17H23NO6
Molecular Weight:
337.3676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
In Stock USA
United States
$103
- +
250mg
In Stock USA
United States
$207
- +
500mg
In Stock USA
United States
$360
- +
1g
In Stock USA
United States
$637
- +
2.5g
In Stock USA
United States
$1353
- +
5g
In Stock USA
United States
$2415
- +
Product Description
Catalog Number:
AG005J9O
Chemical Name:
6,7-Dimethoxy-3,4-1h-isoquinoline-1-dicarboxylic acid 2-tert-butyl ester
CAS Number:
738629-59-9
Molecular Formula:
C17H23NO6
Molecular Weight:
337.3676
MDL Number:
MFCD05863624
IUPAC Name:
6,7-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C17H23NO6/c1-17(2,3)24-16(21)18-7-6-10-8-12(22-4)13(23-5)9-11(10)14(18)15(19)20/h8-9,14H,6-7H2,1-5H3,(H,19,20)
InChI Key:
MZMFBUXQGFWLHV-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN(C2C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.153g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
337.372g/mol
Monoisotopic Mass:
337.153g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties