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164648-32-2 | 4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS No: 164648-32-2 Catalog No: AG019MN1 MDL No:MFCD09928169
Product Description
Catalog Number:
AG019MN1
Chemical Name:
4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS Number:
164648-32-2
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD09928169
IUPAC Name:
4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C13H13N3O2/c1-13(2)11(17)16(12(18)15-13)8-10-5-3-9(7-14)4-6-10/h3-6H,8H2,1-2H3,(H,15,18)
InChI Key:
OZOHJPOTJVYPGE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1C(=O)NC(C1=O)(C)C
Properties
Complexity:
413
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:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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