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1266320-28-8 | L-Proline, 4-[(4-cyanophenyl)methyl]-, (4R)-
CAS No: 1266320-28-8 Catalog No: AG000T0O MDL No:
Product Description
Catalog Number:
AG000T0O
Chemical Name:
L-Proline, 4-[(4-cyanophenyl)methyl]-, (4R)-
CAS Number:
1266320-28-8
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
(2S,4R)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H14N2O2/c14-7-10-3-1-9(2-4-10)5-11-6-12(13(16)17)15-8-11/h1-4,11-12,15H,5-6,8H2,(H,16,17)/t11-,12+/m1/s1
InChI Key:
XTGWBSMJMPPTAC-NEPJUHHUSA-N
SMILES:
N#Cc1ccc(cc1)C[C@H]1CN[C@@H](C1)C(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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