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119984-46-2 | 2-Pyrrolidinone, 5-butoxy-1-(phenylmethyl)-
CAS No: 119984-46-2 Catalog No: AG000PZP MDL No:
Product Description
Catalog Number:
AG000PZP
Chemical Name:
2-Pyrrolidinone, 5-butoxy-1-(phenylmethyl)-
CAS Number:
119984-46-2
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
1-benzyl-5-butoxypyrrolidin-2-one
InChI:
InChI=1S/C15H21NO2/c1-2-3-11-18-15-10-9-14(17)16(15)12-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3
InChI Key:
WPWXUBAZDOBDHI-UHFFFAOYSA-N
SMILES:
CCCCOC1CCC(=O)N1Cc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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