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125658-50-6

125658-50-6 | Proline, 1-(1-oxo-2-propen-1-yl)-, methyl ester

CAS No: 125658-50-6 Catalog No: AG000O9R MDL No:

Product Description

Catalog Number:
AG000O9R
Chemical Name:
Proline, 1-(1-oxo-2-propen-1-yl)-, methyl ester
CAS Number:
125658-50-6
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
methyl (2S)-1-prop-2-enoylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-3-8(11)10-6-4-5-7(10)9(12)13-2/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChI Key:
YIGLRRLMAMUSIO-ZETCQYMHSA-N
SMILES:
COC(=O)[C@@H]1CCCN1C(=O)C=C

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Literature

Title Journal
Temperature-responsive stationary phase utilizing a polymer of proline derivative for hydrophobic interaction chromatography using an aqueous mobile phase. Journal of chromatography. A 20060217
Release behavior of ketoprofen from poly(acryloyl-L-proline methyl ester) gels having different crosslinked networks. Pharmaceutical development and technology 20010101

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