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1042646-00-3 | 3-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS No: 1042646-00-3 Catalog No: AG01BBHW MDL No:MFCD11173768
Product Description
Catalog Number:
AG01BBHW
Chemical Name:
3-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS Number:
1042646-00-3
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD11173768
IUPAC Name:
3-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H11N3O2/c1-14-8-11(16)15(12(14)17)7-10-4-2-3-9(5-10)6-13/h2-5H,7-8H2,1H3
InChI Key:
DGKBDWXUKNDHGK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN1C(=O)CN(C1=O)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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