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1217606-18-2 | D-Proline, 2-[(4-cyanophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217606-18-2 Catalog No: AG0015TH MDL No:MFCD06796815
Product Description
Catalog Number:
AG0015TH
Chemical Name:
D-Proline, 2-[(4-cyanophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217606-18-2
Molecular Formula:
C13H15ClN2O2
Molecular Weight:
266.7234
MDL Number:
MFCD06796815
IUPAC Name:
(2S)-2-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H14N2O2.ClH/c14-9-11-4-2-10(3-5-11)8-13(12(16)17)6-1-7-15-13;/h2-5,15H,1,6-8H2,(H,16,17);1H/t13-;/m0./s1
InChI Key:
CZWUBEORFJKGPW-ZOWNYOTGSA-N
SMILES:
N#Cc1ccc(cc1)C[C@@]1(CCCN1)C(=O)O.Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.725g/mol
Monoisotopic Mass:
266.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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