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102651-46-7 | 2,5-Pyrrolidinedione, 3-butyl-1-phenyl-
CAS No: 102651-46-7 Catalog No: AG00081E MDL No:
Product Description
Catalog Number:
AG00081E
Chemical Name:
2,5-Pyrrolidinedione, 3-butyl-1-phenyl-
CAS Number:
102651-46-7
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
3-butyl-1-phenylpyrrolidine-2,5-dione
InChI:
InChI=1S/C14H17NO2/c1-2-3-7-11-10-13(16)15(14(11)17)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChI Key:
JZDOJRNJISSCIM-UHFFFAOYSA-N
SMILES:
CCCCC1CC(=O)N(C1=O)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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