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80687-79-2 | L-Proline, 1-benzoyl-5-oxo-
CAS No: 80687-79-2 Catalog No: AG005JXM MDL No:
Product Description
Catalog Number:
AG005JXM
Chemical Name:
L-Proline, 1-benzoyl-5-oxo-
CAS Number:
80687-79-2
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
(2S)-1-benzoyl-5-oxopyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H11NO4/c14-10-7-6-9(12(16)17)13(10)11(15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)/t9-/m0/s1
InChI Key:
BQJAOYFZRGTLGB-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H]1CCC(=O)N1C(=O)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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