Home Carboxys 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)

CAS No.:
30740-95-5
Catalog Number:
AG00314L
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
In Stock USA
United States
$110
- +
1g
In Stock USA
United States
$200
- +
2.5g
In Stock USA
United States
$471
- +
5g
In Stock USA
United States
$922
- +
10g
In Stock USA
United States
$1825
- +
25g
In Stock USA
United States
$4533
- +
50g
In Stock USA
United States
$9047
- +
Product Description
Catalog Number:
AG00314L
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS Number:
30740-95-5
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
MDL Number:
MFCD06661901
IUPAC Name:
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO4.ClH/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2;/h4-5,9,13H,3,6H2,1-2H3,(H,14,15);1H
InChI Key:
ROWPWZMWICGKBY-UHFFFAOYSA-N
SMILES:
COc1cc2CC(NCc2cc1OC)C(=O)O.Cl
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.713g/mol
Monoisotopic Mass:
273.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties