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164221-63-0 | 2H-Imidazol-2-one, 1,3-dihydro-4-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 164221-63-0 Catalog No: AG001UPA MDL No:
Product Description
Catalog Number:
AG001UPA
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-4-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
164221-63-0
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
4-(1-adamantyl)-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C13H18N2O/c16-12-14-7-11(15-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H2,14,15,16)
InChI Key:
CVRLJMZGKOFQJR-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc([nH]1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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