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101105-22-0 | 2,5-Pyrrolidinedione, 1-butyl-3-(phenylmethyl)-
CAS No: 101105-22-0 Catalog No: AG0003R7 MDL No:
Product Description
Catalog Number:
AG0003R7
Chemical Name:
2,5-Pyrrolidinedione, 1-butyl-3-(phenylmethyl)-
CAS Number:
101105-22-0
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
3-benzyl-1-butylpyrrolidine-2,5-dione
InChI:
InChI=1S/C15H19NO2/c1-2-3-9-16-14(17)11-13(15(16)18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChI Key:
YAHJRAUNYSEJKY-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)CC(C1=O)Cc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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