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129297-52-5,MFCD11135468
Catalog No.:AA000YZF
L-Proline, 1-(4-cyanophenyl)- | 129297-52-5
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
1 week  
$121.00
- +
250mg
95.0%
1 week  
$160.00
- +
500mg
95.0%
1 week  
$276.00
- +
1g
95.0%
1 week  
$382.00
- +
2.5g
95.0%
1 week  
$721.00
- +
5g
95.0%
1 week  
$1,049.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000YZF
Chemical Name:
L-Proline, 1-(4-cyanophenyl)-
CAS Number:
129297-52-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD11135468
IUPAC Name:
(2S)-1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c13-8-9-3-5-10(6-4-9)14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7H2,(H,15,16)/t11-/m0/s1
InChI Key:
QXPDICRRGHNHKO-NSHDSACASA-N
SMILES:
N#Cc1ccc(cc1)N1CCC[C@H]1C(=O)O
Properties
Computed Properties
 
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
N-(4-Cyanophenyl)-L-proline 
129297-52-5 
C67201 
1-(4-Cyanophenyl)-L-proline 
CTK4B6234 
DTXSID40651419 
L-Proline, 1-(4-cyanophenyl)- 
MFCD09757500 
ZINC19867206 
AKOS022180620 
AJ-75525 
Literature
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