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149427-84-9

149427-84-9 | 2-Pyrrolidinone, 5-(2-hydroxyethyl)-

CAS No: 149427-84-9 Catalog No: AG001LOP MDL No:MFCD09032652

Product Description

Catalog Number:
AG001LOP
Chemical Name:
2-Pyrrolidinone, 5-(2-hydroxyethyl)-
CAS Number:
149427-84-9
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD09032652
IUPAC Name:
5-(2-hydroxyethyl)pyrrolidin-2-one
InChI:
InChI=1S/C6H11NO2/c8-4-3-5-1-2-6(9)7-5/h5,8H,1-4H2,(H,7,9)
InChI Key:
GPVDPHDTYDBCAI-UHFFFAOYSA-N
SMILES:
OCCC1CCC(=O)N1

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

Literature

Title Journal
Quantification of four major metabolites of embryotoxic N-methyl- and N-ethyl-2-pyrrolidone in human urine by cooled-injection gas chromatography and isotope dilution mass spectrometry. Analytical chemistry 20120417

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