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86778-86-1 | L-Proline, 1-(1-oxo-4-phenylbutyl)-
CAS No: 86778-86-1 Catalog No: AG004JIF MDL No:MFCD16377107
Product Description
Catalog Number:
AG004JIF
Chemical Name:
L-Proline, 1-(1-oxo-4-phenylbutyl)-
CAS Number:
86778-86-1
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD16377107
IUPAC Name:
(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C15H19NO3/c17-14(16-11-5-9-13(16)15(18)19)10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,18,19)/t13-/m0/s1
InChI Key:
XQIRATUKSYJTKI-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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