Home Carboxys trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate

trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate

CAS No.:
1187933-27-2
Catalog Number:
AG007PQB
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$221
- +
1g
95%
1 week
United States
$494
- +
5g
95%
1 week
United States
$1406
- +
Product Description
Catalog Number:
AG007PQB
Chemical Name:
trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CAS Number:
1187933-27-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD01862548
IUPAC Name:
methyl (3R,4S)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-16-10-5-3-9(4-6-10)11-7-14-8-12(11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3/t11-,12+/m1/s1
InChI Key:
YZBHPTZUARKXKZ-NEPJUHHUSA-N
SMILES:
COC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)OC
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties