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100372-35-8 | 2,5-Pyrrolidinedione, 1-ethyl-3-(phenylmethyl)-
CAS No: 100372-35-8 Catalog No: AG0001T0 MDL No:
Product Description
Catalog Number:
AG0001T0
Chemical Name:
2,5-Pyrrolidinedione, 1-ethyl-3-(phenylmethyl)-
CAS Number:
100372-35-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-benzyl-1-ethylpyrrolidine-2,5-dione
InChI:
InChI=1S/C13H15NO2/c1-2-14-12(15)9-11(13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChI Key:
YJZDZXWBSXLMIE-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CC(C1=O)Cc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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