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Home > Imidazoles > 19282-98-5
19282-98-5 | 1-Imidazolidinepropanenitrile, 4-methyl-2,5-dioxo-4-phenyl-
CAS No: 19282-98-5 Catalog No: AG002GD9 MDL No:
Product Description
Catalog Number:
AG002GD9
Chemical Name:
1-Imidazolidinepropanenitrile, 4-methyl-2,5-dioxo-4-phenyl-
CAS Number:
19282-98-5
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
3-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanenitrile
InChI:
InChI=1S/C13H13N3O2/c1-13(10-6-3-2-4-7-10)11(17)16(9-5-8-14)12(18)15-13/h2-4,6-7H,5,9H2,1H3,(H,15,18)
InChI Key:
DWVGGEAHUXUKQI-UHFFFAOYSA-N
SMILES:
N#CCCN1C(=O)NC(C1=O)(C)c1ccccc1
NSC Number:
150481
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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