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88461-15-8

88461-15-8 | 2-Pyrrolidinone, 5-(acetyloxy)-1-(phenylmethyl)-

CAS No: 88461-15-8 Catalog No: AG004DKH MDL No:

Product Description

Catalog Number:
AG004DKH
Chemical Name:
2-Pyrrolidinone, 5-(acetyloxy)-1-(phenylmethyl)-
CAS Number:
88461-15-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
(1-benzyl-5-oxopyrrolidin-2-yl) acetate
InChI:
InChI=1S/C13H15NO3/c1-10(15)17-13-8-7-12(16)14(13)9-11-5-3-2-4-6-11/h2-6,13H,7-9H2,1H3
InChI Key:
FZXLHTQIHREPKB-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCC(=O)N1Cc1ccccc1

Properties

Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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