Home Carboxys Trans-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid-HCl

Trans-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid-HCl

CAS No.:
1049978-93-9
Catalog Number:
AG007X5I
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$100
- +
250mg
97%
In Stock USA
United States
$163
- +
1g
97%
In Stock USA
United States
$407
- +
5g
97%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG007X5I
Chemical Name:
Trans-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid-HCl
CAS Number:
1049978-93-9
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD06659303
IUPAC Name:
(3R,4S)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c1-16-9-4-2-8(3-5-9)10-6-13-7-11(10)12(14)15;/h2-5,10-11,13H,6-7H2,1H3,(H,14,15);1H/t10-,11+;/m1./s1
InChI Key:
XNGVHGXCWZSSEN-DHXVBOOMSA-N
SMILES:
COc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)O.Cl
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties