Home Carboxys (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl

(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl

CAS No.:
82586-62-7
Catalog Number:
AG003BTA
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$44
- +
5g
96%
In Stock USA
United States
$125
- +
25g
96%
In Stock USA
United States
$400
- +
100g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG003BTA
Chemical Name:
(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl
CAS Number:
82586-62-7
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
MDL Number:
MFCD01861226
IUPAC Name:
(3S)-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/t9-;/m0./s1
InChI Key:
ROWPWZMWICGKBY-FVGYRXGTSA-N
SMILES:
COc1cc2C[C@H](NCc2cc1OC)C(=O)O.Cl
UNII:
IN2U440Y6D
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
Properties