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Home > Imidazoles > 908333-99-3
908333-99-3 | 3,4,5,6-TETRAHYDRO-1H-CYCLOPENTAIMIDAZOL-2-ONE
CAS No: 908333-99-3 Catalog No: AG006LUE MDL No:
Product Description
Catalog Number:
AG006LUE
Chemical Name:
3,4,5,6-TETRAHYDRO-1H-CYCLOPENTAIMIDAZOL-2-ONE
CAS Number:
908333-99-3
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazol-2-one
InChI:
InChI=1S/C6H8N2O/c9-6-7-4-2-1-3-5(4)8-6/h1-3H2,(H2,7,8,9)
InChI Key:
KAGJDWXSWVELHY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)CCC2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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